3162850
  -OEChem-06192423172D

 43 46  0     0  0  0  0  0  0999 V2000
    6.3624   -2.5327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -0.9706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -2.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.5261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    2.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    2.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564   -0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564   -0.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3624   -0.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -0.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564   -1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4564   -2.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -0.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -2.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9884   -1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1063    0.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8984   -0.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0044    1.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9065    0.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296    0.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3460    1.9194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9502    2.6112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637    0.0593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2608    0.0563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    3.0061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    3.0092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3898    1.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940    2.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    1.9308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    0.8340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3696    0.1565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1224   -3.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5254   -2.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5659    0.8472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317   -0.8074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0020    1.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4446    0.8583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 11  2  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 37  1  0  0  0  0
 15 18  1  0  0  0  0
 15 21  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3162850

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
535

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBUAAAHgAQAAAADCzBmAQwDsLABACIAiHSGACCCAAgIAAIiIEOCMgMJi6MsRqGOiCm9hGIqYeQwPAOoAADAAAYAABAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-3-oxo-benzo[f]chromene-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-3-oxo-2-benzo[f][1]benzopyrancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-3-oxobenzo[f]chromene-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-3-oxobenzo[f]chromene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-3-oxidanylidene-benzo[f]chromene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclohexyl-3-keto-benzo[f]chromene-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19NO3/c22-19(21-14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)24-20(17)23/h4-6,9-12,14H,1-3,7-8H2,(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
ZGIFJFOWLMETRJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
321.13649347

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
321.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O

> <PUBCHEM_CACTVS_TPSA>
55.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
321.13649347

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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

> <PUBCHEM_BONDANNOTATIONS>
1  16  8
1  17  8
12  14  8
12  17  8
13  14  8
13  15  8
13  16  8
15  18  8
15  21  8
16  19  8
18  20  8
18  22  8
19  20  8
21  23  8
22  24  8
23  24  8

$$$$
