146152966
  -OEChem-06142410232D

 46 48  0     0  0  0  0  0  0999 V2000
   13.6588    1.1405    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9679    2.0915    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200    1.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200    0.6405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200   -2.0915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9860   -1.5916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1200    0.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7078    1.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7078   -0.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6200    1.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6200   -0.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6588    1.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6588    0.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    1.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200   -0.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    0.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200   -0.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200   -0.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200   -1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1200   -1.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -0.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -0.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -0.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9600    2.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1708    1.7595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1708   -0.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9600   -0.7349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2026    1.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5123    2.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5123   -0.8361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2026   -0.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7877   -0.4660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2754    0.2053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7277    2.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0374    1.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0374   -0.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7277   -0.8361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5123   -0.8361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2026   -0.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7277    0.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374   -0.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5374   -1.3036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277   -1.7021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2026   -0.0135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5123    0.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  3 16  2  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  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 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  3  0  0  0  0
 23 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
146152966

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
549

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IYAAAAAAAAAAAAAAEAAAAYAAAAAsAAAAAAAAAAAAAAAAHwAIAAAADgjBgBQBAAMAAABKGAEQEAgAAAAAAAAAAAEIAAAAABIAgAAEAAAABgCAAAEciACPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(3-but-3-ynyldiazirin-3-yl)-1-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)propan-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(3-but-3-ynyl-3-diazirinyl)-1-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-1-propanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(3-but-3-ynyldiazirin-3-yl)-1-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)propan-1-one

> <PUBCHEM_IUPAC_NAME>
3-(3-but-3-ynyldiazirin-3-yl)-1-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)propan-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[3,3-bis(fluoranyl)-8-azaspiro[4.5]decan-8-yl]-3-(3-but-3-ynyl-1,2-diazirin-3-yl)propan-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(3-but-3-ynyldiazirin-3-yl)-1-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)propan-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H23F2N3O/c1-2-3-5-17(20-21-17)6-4-14(23)22-11-9-15(10-12-22)7-8-16(18,19)13-15/h1H,3-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
GRYHDGOGESGYSJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
323.18091869

> <PUBCHEM_MOLECULAR_FORMULA>
C17H23F2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
323.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#CCCC1(N=N1)CCC(=O)N2CCC3(CCC(C3)(F)F)CC2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#CCCC1(N=N1)CCC(=O)N2CCC3(CCC(C3)(F)F)CC2

> <PUBCHEM_CACTVS_TPSA>
45

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.18091869

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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

$$$$
