7187725
  -OEChem-05132411342D

 48 51  0     0  0  0  0  0  0999 V2000
    6.3981   -3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862   -2.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062   -1.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.6071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6880    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 20  2  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 34  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 33  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  2  0  0  0  0
 25 43  1  0  0  0  0
 26 28  2  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7187725

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
641

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAyBmAIyxoLABACoAyVyVACCCAAlIgAIiAEmfNgMZrLEtZuUMShk1BHI6Yec3MLOKAACAAACACBQAAQAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-methoxy-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-methoxy-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-methoxy-<I>N</I>-[4-methyl-2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME>
4-methoxy-N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methoxy-N-[4-methyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(3-keto-4H-quinoxalin-2-yl)-4-methyl-phenyl]-4-methoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H19N3O3/c1-14-7-12-18(25-22(27)15-8-10-16(29-2)11-9-15)17(13-14)21-23(28)26-20-6-4-3-5-19(20)24-21/h3-13H,1-2H3,(H,25,27)(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
QHSJHVZXBDFXGJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
385.14264148

> <PUBCHEM_MOLECULAR_FORMULA>
C23H19N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
385.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_CACTVS_TPSA>
79.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.14264148

> <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>
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  11  8
11  16  8
12  13  8
12  18  8
13  19  8
14  16  8
18  22  8
19  23  8
21  24  8
21  25  8
22  23  8
24  26  8
25  27  8
26  28  8
27  28  8
4  12  8
4  15  8
6  13  8
6  9  8
7  10  8
7  8  8
8  14  8
9  15  8

$$$$