146152987
  -OEChem-06142410232D

 50 52  0     1  0  0  0  0  0999 V2000
    3.4230   -5.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2614   -3.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -1.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2009   -5.2084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.8434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.2906    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0411   -5.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -2.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -5.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7314   -4.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    3.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    5.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3511   -5.7786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6075   -4.9895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554   -2.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -3.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101   -3.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087   -2.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7969   -3.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1256   -4.1617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -1.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554   -1.8982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087   -1.8982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101   -1.2080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172   -6.2902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469   -6.2902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    1.1018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    1.7920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2554    0.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -0.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880    3.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    2.6018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8205   -5.2301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8724   -5.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    2.6268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    3.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    5.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  2  0  0  0  0
  3 19  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 19  1  0  0  0  0
  6 17  1  0  0  0  0
  6 46  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 16  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  3  0  0  0  0
 25 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
146152987

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
611

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAEAAAASAAAAAsAAAAAAAAAAAAAAAAHgAYAAAADIjhgAYBAANABABKGAEQEAgAAAAAAAAAAAGIAAACQBYAgCAXAAAGJgCQAAE+iACIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazin-1-yl]tetrahydrofuran-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[4-[3-(3-but-3-ynyl-3-diazirinyl)-1-oxopropyl]-1-piperazinyl]-3-oxolanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazin-1-yl]oxolane-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazin-1-yl]oxolane-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[4-[3-(3-but-3-ynyl-1,2-diazirin-3-yl)propanoyl]piperazin-1-yl]oxolane-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[4-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperazino]tetrahydrofuran-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H25N5O3/c1-2-3-5-17(19-20-17)6-4-14(23)21-8-10-22(11-9-21)16(15(18)24)7-12-25-13-16/h1H,3-13H2,(H2,18,24)

> <PUBCHEM_IUPAC_INCHIKEY>
UEIJUIVOQWOITM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.5

> <PUBCHEM_EXACT_MASS>
347.19573968

> <PUBCHEM_MOLECULAR_FORMULA>
C17H25N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
347.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#CCCC1(N=N1)CCC(=O)N2CCN(CC2)C3(CCOC3)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#CCCC1(N=N1)CCC(=O)N2CCN(CC2)C3(CCOC3)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.19573968

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
9  17  3

$$$$
