46395208
  -OEChem-05132409242D

 54 57  0     0  0  0  0  0  0999 V2000
    6.3981   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781   -5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766   -4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900   -4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0742    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4728    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0382    4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4182    6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 24  2  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 47  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 13 34  1  0  0  0  0
 14 22  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 20  1  0  0  0  0
 16 39  1  0  0  0  0
 17 21  2  0  0  0  0
 17 40  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 24  1  0  0  0  0
 19 22  2  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 29  2  0  0  0  0
 27 49  1  0  0  0  0
 28 30  2  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46395208

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
663

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAzBmAYyxoPABACoAyVyVACCCAAlIgAIiIEufNgMZrLEtZuUMShkxhHI6YeY2MKOYAAAAAAAACDAAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H23N3O3/c1-3-28-22-7-5-4-6-21(22)27-23(25(28)30)18-10-12-19(13-11-18)24(29)26-16-17-8-14-20(31-2)15-9-17/h4-15H,3,16H2,1-2H3,(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
IHBWGZIDOBEOLC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
413.17394160

> <PUBCHEM_MOLECULAR_FORMULA>
C25H23N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
413.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C2=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>
413.17394160

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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
12  16  8
12  17  8
13  19  8
14  22  8
16  20  8
17  21  8
18  20  8
18  21  8
19  22  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
4  11  8
4  7  8
5  10  8
5  9  8
7  10  8
7  13  8
9  11  8

$$$$