53058371
  -OEChem-05032420272D

 57 60  0     0  0  0  0  0  0999 V2000
   11.5981   -0.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.0188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3397    3.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -0.0121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    1.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    1.5154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060   -0.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060    2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    2.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981   -3.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    2.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -1.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2554   -0.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6540   -1.5947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132   -0.6667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132    2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6642    0.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    2.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2071    2.4952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1951   -2.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981   -0.3921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4655    0.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9081    1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    2.2979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2881    2.5249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981   -3.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0010   -1.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    2.6454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0010   -2.8221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -0.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681    1.8408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.2209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8021   -1.5647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -0.8759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -0.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -1.7858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0323   -2.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 23  1  0  0  0  0
  2 31  1  0  0  0  0
  3 17  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 42  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 36  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 37  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 24  1  0  0  0  0
 19 40  1  0  0  0  0
 20 25  2  0  0  0  0
 20 41  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 28  2  0  0  0  0
 24 27  2  0  0  0  0
 24 46  1  0  0  0  0
 25 27  1  0  0  0  0
 25 47  1  0  0  0  0
 26 29  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 30  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  2  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53058371

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
688

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAzhmAYyxoPABACoAyVyVACCCAAlIgAIiIEefMgMZjLEtZuWOSjmxhHI6YecySCeCAAAQAAIACAQAACAABAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-benzyl-N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxo-quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxo-1-(phenylmethyl)-6-quinoxalinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-benzyl-<I>N</I>-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxoquinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-benzyl-N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxoquinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxidanylidene-1-(phenylmethyl)quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-benzyl-N-(2-ethoxybenzyl)-2-keto-3-methyl-quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H25N3O3/c1-3-32-24-12-8-7-11-21(24)16-27-25(30)20-13-14-23-22(15-20)28-18(2)26(31)29(23)17-19-9-5-4-6-10-19/h4-15H,3,16-17H2,1-2H3,(H,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
KYVYUCVANMADAN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
427.18959167

> <PUBCHEM_MOLECULAR_FORMULA>
C26H25N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
427.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)C)CC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)C)CC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
71

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
427.18959167

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  15  8
11  16  8
12  13  8
12  16  8
14  19  8
14  20  8
19  24  8
20  25  8
22  23  8
22  26  8
23  28  8
24  27  8
25  27  8
26  29  8
28  30  8
29  30  8
4  10  8
4  7  8
5  15  8
5  9  8
7  11  8
7  9  8
9  13  8

$$$$