7187728
  -OEChem-05241304262D

 48 51  0     0  0  0  0  0  0999 V2000
    3.7320   -3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -3.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -4.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -1.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -3.5229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -1.8571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    4.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    3.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    3.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    4.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 25  1  0  0  0  0
  2 28  1  0  0  0  0
  3 19  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 31  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 32  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  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 20  1  0  0  0  0
 14 33  1  0  0  0  0
 15 21  1  0  0  0  0
 15 34  1  0  0  0  0
 16 22  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  1  0  0  0  0
 23 40  1  0  0  0  0
 24 27  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
 28 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>
7187728

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
627

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAyhmAIyxoLABACoAyVyVACCCAAlIgAIiAEmfNgMZrLEtZuWOSjk1BHI6Yec3ILOIAAAAAACACBAAAAAAAQAQAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H19N3O3/c1-2-29-16-13-11-15(12-14-16)22(27)25-18-8-4-3-7-17(18)21-23(28)26-20-10-6-5-9-19(20)24-21/h3-14H,2H2,1H3,(H,25,27)(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
LQNARSUCARODKM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
385.142641

> <PUBCHEM_MOLECULAR_FORMULA>
C23H19N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
385.41526

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_CACTVS_TPSA>
79.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.142641

> <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>
10

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  15  8
11  16  8
13  17  8
14  20  8
15  21  8
16  22  8
17  20  8
18  23  8
18  24  8
21  22  8
23  26  8
24  27  8
25  26  8
25  27  8
4  10  8
4  12  8
6  11  8
6  8  8
7  13  8
7  9  8
8  12  8
9  14  8

$$$$