23905726
  -OEChem-04272401192D

 43 46  0     0  0  0  0  0  0999 V2000
    8.1962    2.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1846   -3.0294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    2.0294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -0.0399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3244   -1.5260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    3.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0641    0.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564   -1.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9282   -0.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243   -1.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3205   -2.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4526   -3.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.6148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0344    3.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4073    3.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7945    3.0222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.6599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    1.0873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.8276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0540   -2.1527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4663    0.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7886   -1.2140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4601   -1.3481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1446   -2.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9144   -3.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7605   -3.5608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 25  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5 16  1  0  0  0  0
  5 25  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  2  0  0  0  0
  9 12  1  0  0  0  0
  9 18  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 22  2  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23905726

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
602

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAADBVAAAHgAQAAAADAiBmAQywMPAAACoAyVyVACCAAAhAgAIiAEodJgIYLLAlZGUIAhglgDIyAcciICOiAAAQAASACAQAACAACQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(4-methyl-3-oxo-benzo[g]quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(4-methyl-3-oxo-2-benzo[g]quinoxalinyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(4-methyl-3-oxobenzo[g]quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(4-methyl-3-oxobenzo[g]quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(4-methyl-3-oxidanylidene-benzo[g]quinoxalin-2-yl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(3-keto-4-methyl-benzo[g]quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H17N3O2/c1-13(25)22-17-10-6-5-9-16(17)20-21(26)24(2)19-12-15-8-4-3-7-14(15)11-18(19)23-20/h3-12H,1-2H3,(H,22,25)

> <PUBCHEM_IUPAC_INCHIKEY>
DHDLOAGWFMVTNU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
343.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C21H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
343.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=CC=C1C2=NC3=CC4=CC=CC=C4C=C3N(C2=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=CC=C1C2=NC3=CC4=CC=CC=C4C=C3N(C2=O)C

> <PUBCHEM_CACTVS_TPSA>
61.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
10  13  8
14  16  8
14  19  8
16  22  8
17  20  8
18  21  8
19  23  8
20  21  8
22  24  8
23  24  8
3  13  8
3  6  8
4  10  8
4  7  8
6  11  8
6  7  8
7  12  8
8  11  8
8  17  8
8  9  8
9  12  8
9  18  8

$$$$