24084440
  -OEChem-05132422262D

 33 35  0     1  0  0  0  0  0999 V2000
    3.6123    2.5166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2107    1.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2107   -0.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8019    0.8338    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2358   -0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2358    1.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019    0.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6123   -0.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9926    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9926    0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8865    1.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6235   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9777   -1.7799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8865   -0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    1.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    0.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542   -2.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3653   -2.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721    1.3587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019    1.4538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819    0.8338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8019    0.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3487    2.5617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8793    2.4884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970   -0.1228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5907   -1.8723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8793   -0.8208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3283    1.6667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3283    0.0009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -1.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -3.1389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -2.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 26  1  0  0  0  0
 13 18  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24084440

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
371

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABAAAAAABQAAAHgAQAAAADQiBmAAywILAAACoAyVyVACCAAAhAgAIiAEwdJgIYLLAkZGUIAhglADIyAcYiMCOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-methyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

> <PUBCHEM_IUPAC_NAME>
3-methyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-methyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O/c1-11-15(12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)18-16(11)19/h2-11H,1H3,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
FANCNBCJXSUBLU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
250.110613074

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
250.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.110613074

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
10  14  8
11  15  8
12  17  8
13  18  8
14  16  8
15  16  8
17  19  8
18  19  8
4  7  3
8  12  8
8  13  8
9  10  8
9  11  8

$$$$