46395267
  -OEChem-05052410142D

 51 54  0     0  0  0  0  0  0999 V2000
    6.3981   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -4.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.5954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4728    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -4.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382    4.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182    5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 22  2  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 22  1  0  0  0  0
  6 43  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 17  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 31  1  0  0  0  0
 14 18  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 24  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 44  1  0  0  0  0
 25 27  1  0  0  0  0
 25 45  1  0  0  0  0
 26 28  2  0  0  0  0
 26 46  1  0  0  0  0
 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46395267

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
648

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAzBmAYyxoPABACoAyVyVACCCAAlIgAIiIEufNgMZrLEtZuUMShkxhHI6YeY2MKOYAAAAAAAACDAAAAAAAAAQAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(4-methoxyphenyl)methyl]-4-(4-methyl-3-oxo-2-quinoxalinyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(4-methoxyphenyl)methyl]-4-(4-methyl-3-oxoquinoxalin-2-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
N-[(4-methoxyphenyl)methyl]-4-(4-methyl-3-oxoquinoxalin-2-yl)benzamide

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(3-keto-4-methyl-quinoxalin-2-yl)-N-p-anisyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21N3O3/c1-27-21-6-4-3-5-20(21)26-22(24(27)29)17-9-11-18(12-10-17)23(28)25-15-16-7-13-19(30-2)14-8-16/h3-14H,15H2,1-2H3,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
ISDFQHCIRLIUSF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
399.15829154

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
399.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)OC

> <PUBCHEM_CACTVS_TPSA>
71

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
399.15829154

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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  14  8
10  15  8
12  18  8
12  19  8
13  23  8
14  18  8
15  19  8
17  24  8
21  25  8
21  26  8
23  24  8
25  27  8
26  28  8
27  29  8
28  29  8
4  11  8
4  7  8
5  8  8
5  9  8
7  13  8
7  9  8
8  11  8
9  17  8

$$$$