46266386
  -OEChem-05052420342D

 58 61  0     0  0  0  0  0  0999 V2000
    8.9282   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4362   -0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4362    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5301    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5301    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944   -0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 20  2  0  0  0  0
  3 30  1  0  0  0  0
  3 34  1  0  0  0  0
  4 27  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  7 44  1  0  0  0  0
  8 20  1  0  0  0  0
  8 26  1  0  0  0  0
  8 45  1  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 13 20  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 18  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  2  0  0  0  0
 17 38  1  0  0  0  0
 18 24  1  0  0  0  0
 18 39  1  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  0  0  0  0
 21 23  2  0  0  0  0
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 22 24  2  0  0  0  0
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 25 46  1  0  0  0  0
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 25 48  1  0  0  0  0
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 26 29  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  1  0  0  0  0
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 34 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46266386

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
800

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAzBmAYyxoPABACoAyVyVACCCAAhIgAIiAGufJgMZrLEtbuUMChm1hnI6Aec2MOOCAACAgACACAQAAQEAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[3-(2-acetamido-5-methyl-phenyl)-2-oxo-quinoxalin-1-yl]-N-(3-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[3-(2-acetamido-5-methylphenyl)-2-oxo-1-quinoxalinyl]-N-(3-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-<I>N</I>-(3-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(3-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[3-(2-acetamido-5-methyl-phenyl)-2-oxidanylidene-quinoxalin-1-yl]-N-(3-methoxyphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[3-(2-acetamido-5-methyl-phenyl)-2-keto-quinoxalin-1-yl]-N-(3-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24N4O4/c1-16-11-12-21(27-17(2)31)20(13-16)25-26(33)30(23-10-5-4-9-22(23)29-25)15-24(32)28-18-7-6-8-19(14-18)34-3/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)

> <PUBCHEM_IUPAC_INCHIKEY>
SUWIBSWJHOAPSJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
456.17975526

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
456.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)NC(=O)C)C2=NC3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)NC(=O)C)C2=NC3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)OC

> <PUBCHEM_CACTVS_TPSA>
100

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
456.17975526

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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  12  8
11  15  8
11  17  8
14  18  8
15  21  8
16  22  8
17  19  8
18  24  8
19  23  8
21  23  8
22  24  8
26  28  8
26  29  8
28  30  8
29  31  8
30  33  8
31  33  8
5  12  8
5  9  8
6  10  8
6  14  8
9  14  8
9  16  8

$$$$