51517435
  -OEChem-04262420082D

 46 49  0     0  0  0  0  0  0999 V2000
    6.3981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.3329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4822    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 14  2  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 31  1  0  0  0  0
 13 19  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 24  2  0  0  0  0
 20 37  1  0  0  0  0
 21 24  1  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51517435

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
603

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAAAAAADAyBmAIyxoMABACoA6VyVACCCAAlIgAIiAE2fMgMZnLEtZuUMShkxBHI6YedzKDOIAAAAAAAACBAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-phenyl-2-quinoxalinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-phenylquinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-phenylquinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[2-keto-2-(4-methoxyphenyl)ethyl]-1-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H18N2O3/c1-28-18-13-11-16(12-14-18)22(26)15-20-23(27)25(17-7-3-2-4-8-17)21-10-6-5-9-19(21)24-20/h2-14H,15H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KRIWUSKDQTVSEU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
370.13174244

> <PUBCHEM_MOLECULAR_FORMULA>
C23H18N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
370.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3N(C2=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3N(C2=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
59

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
370.13174244

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
11  16  8
11  17  8
12  18  8
13  19  8
15  22  8
15  23  8
16  20  8
17  21  8
18  19  8
20  24  8
21  24  8
22  25  8
23  26  8
25  27  8
26  27  8
4  6  8
4  9  8
5  7  8
5  8  8
6  12  8
6  8  8
7  9  8
8  13  8

$$$$