8256782
  -OEChem-05231317332D

 47 50  0     0  0  0  0  0  0999 V2000
    5.4641   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -2.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490   -2.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9490    0.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -2.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -0.3571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    0.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    1.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3 21  1  0  0  0  0
  3 29  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4 31  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 22  2  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  1  0  0  0  0
 17 34  1  0  0  0  0
 18 24  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 38  1  0  0  0  0
 23 27  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8256782

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
678

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAyBmAIyxoLABACoA6VyVACCCAAlIgAIiAEmfNgMZjLEtZuUMShk1BHI6YedyJCOAAABAAAAACAAAAIAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(E)-1-benzoyl-2-(3-methoxyphenyl)vinyl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(E)-1-(3-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
3-[(E)-1-(3-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(E)-1-(3-methoxyphenyl)-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(E)-1-benzoyl-2-(3-methoxyphenyl)vinyl]-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H18N2O3/c1-29-18-11-7-8-16(14-18)15-19(23(27)17-9-3-2-4-10-17)22-24(28)26-21-13-6-5-12-20(21)25-22/h2-15H,1H3,(H,26,28)/b19-15+

> <PUBCHEM_IUPAC_INCHIKEY>
KKJAHQJWHUFLML-XDJHFCHBSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
382.131742

> <PUBCHEM_MOLECULAR_FORMULA>
C24H18N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
382.41132

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC(=C1)C=C(C2=NC3=CC=CC=C3NC2=O)C(=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC(=C1)/C=C(\C2=NC3=CC=CC=C3NC2=O)/C(=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
67.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
382.131742

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  17  8
13  18  8
14  22  8
14  23  8
15  19  8
16  20  8
17  21  8
18  24  8
19  20  8
21  25  8
22  26  8
23  27  8
24  25  8
26  28  8
27  28  8
4  10  8
4  8  8
5  7  8
5  9  8
7  10  8
8  15  8
8  9  8
9  16  8

$$$$