34312
  -OEChem-04252405372D

 31 33  0     0  0  0  0  0  0999 V2000
    3.9491    2.6058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0170   -1.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -0.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -1.9858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    0.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3830    1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820   -0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7595    0.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3830    1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    1.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365   -0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2295   -0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8830   -1.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7660    0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9416    1.9738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2450    2.3093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280    1.8513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916   -1.3749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3744   -1.3749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    1.8514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    0.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9871   -0.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7789   -0.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083    0.7278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -2.6058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2859   -1.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 15  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  0  0  0  0
 12 17  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 14 19  1  0  0  0  0
 14 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
34312

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
382

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHgAQAAAADAyBmAAxwINAAACIAqRSUACCAAAlAgAIiAEAZMiIIHrAlZGEIYhghALIyecciMCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-oxo-6<I>H</I>-benzo[b][1]benzazepine-11-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-oxidanylidene-6H-benzo[b][1]benzazepine-11-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-keto-6H-benzo[b][1]benzazepine-11-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)

> <PUBCHEM_IUPAC_INCHIKEY>
CTRLABGOLIVAIY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
252.089877630

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
252.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
63.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
252.089877630

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  16  8
12  17  8
13  18  8
14  19  8
16  17  8
18  19  8
5  11  8
5  6  8
6  12  8
8  13  8
8  9  8
9  14  8

$$$$