53058257
  -OEChem-05102402272D

 47 49  0     0  0  0  0  0  0999 V2000
    4.5961   -0.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981   -0.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3397    2.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -0.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679    0.7483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060    1.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    1.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    0.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132    1.8754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132   -1.4338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    1.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2071    1.7281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6642   -0.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4655    0.1283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2460   -1.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -2.3992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4860   -1.7792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742    1.8783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9081    0.6839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    1.5308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2881    1.7578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -1.3616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681    1.0738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.5462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8021   -2.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033   -1.6430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -1.7068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -2.5529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0323   -2.7831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 25  1  0  0  0  0
  2 14  2  0  0  0  0
  3 17  2  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 32  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 17  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  2  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53058257

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADAzhmAYyxoPABACoAyVyVACCCAAlIgAIiIEefMgMZjLEtZuWOSjmxhHI6YecySCeCAAAQAAIACAQAACAABAAQAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-ethoxybenzyl)-2-keto-1,3-dimethyl-quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21N3O3/c1-4-26-18-8-6-5-7-15(18)12-21-19(24)14-9-10-17-16(11-14)22-13(2)20(25)23(17)3/h5-11H,4,12H2,1-3H3,(H,21,24)

> <PUBCHEM_IUPAC_INCHIKEY>
YCDWHYTVOSBCDB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
351.15829154

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
351.4

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

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

> <PUBCHEM_CACTVS_TPSA>
71

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
351.15829154

> <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>
11  13  8
14  16  8
15  19  8
15  20  8
19  22  8
20  23  8
22  24  8
23  24  8
4  14  8
4  7  8
6  16  8
6  8  8
7  11  8
7  8  8
8  10  8
9  10  8
9  13  8

$$$$