5019834
  -OEChem-05092400542D

 45 48  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
    4.6660   -1.4400    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
    6.3981   -1.4400    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
    6.3981   -0.4400    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
    5.5321   -2.9400    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
    7.2641    0.0600    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
    8.1301   -1.4400    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
    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
    4.6660    2.5600    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
    2.9340    2.5600    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    1.5600    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
    4.6660   -4.0600    0.0000 H   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
    4.9951   -0.2500    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
    8.6671   -1.7500    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
    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
    5.2030    2.8700    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
    3.8000    3.6800    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
    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 12  2  0  0  0  0
  2 19  2  0  0  0  0
  3 25  1  0  0  0  0
  3 28  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 29  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 31  1  0  0  0  0
 15 21  1  0  0  0  0
 15 33  1  0  0  0  0
 16 22  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 26  1  0  0  0  0
 23 39  1  0  0  0  0
 24 27  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5019834

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
612

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAyBmAIyxoLABACoAyVyVACCCAAlIgAIiAEmfNgMZrLEtZuUMShk1BHI6Yec3ILOIAAAAAACACBAAAAAAAQAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H17N3O3/c1-28-15-12-10-14(11-13-15)21(26)24-17-7-3-2-6-16(17)20-22(27)25-19-9-5-4-8-18(19)23-20/h2-13H,1H3,(H,24,26)(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
REWKBTXQKJGFMK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
371.12699141

> <PUBCHEM_MOLECULAR_FORMULA>
C22H17N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
371.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_CACTVS_TPSA>
79.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
371.12699141

> <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>
10  11  8
10  15  8
11  16  8
13  17  8
14  18  8
15  21  8
16  22  8
17  18  8
20  23  8
20  24  8
21  22  8
23  26  8
24  27  8
25  26  8
25  27  8
4  10  8
4  12  8
5  11  8
5  8  8
7  13  8
7  9  8
8  12  8
9  14  8

$$$$