4134170
  -OEChem-04252400512D

 53 56  0     0  0  0  0  0  0999 V2000
    2.8660    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041   -4.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041   -2.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981   -3.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    4.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0622   -0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -5.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -1.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -4.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -2.6071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 31  1  0  0  0  0
  2 16  2  0  0  0  0
  3 19  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 34  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 39  1  0  0  0  0
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  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  2  0  0  0  0
  9 17  2  0  0  0  0
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 11 33  1  0  0  0  0
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 23 26  1  0  0  0  0
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 24 44  1  0  0  0  0
 25 29  1  0  0  0  0
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 27 47  1  0  0  0  0
 28 30  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
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 31 52  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
4134170

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
667

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAzBmAYyxoLABACoAyVyVACCCAAhIgAIiIGufJgMZrLEtbuUMChm1hHI6AecyKCOAAAAAAAKACAAAAAAABQAQAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2-methoxyphenyl)methyl]-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(2-methoxyphenyl)methyl]-2-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)anilino]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(2-methoxyphenyl)methyl]-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(2-methoxyphenyl)methyl]-2-[[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]amino]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2-(3-keto-4H-quinoxalin-2-yl)anilino]-N-o-anisyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22N4O3/c1-31-21-13-7-2-8-16(21)14-26-22(29)15-25-18-10-4-3-9-17(18)23-24(30)28-20-12-6-5-11-19(20)27-23/h2-13,25H,14-15H2,1H3,(H,26,29)(H,28,30)

> <PUBCHEM_IUPAC_INCHIKEY>
SMGDKDGQMRWQQE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
414.16919058

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
414.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1CNC(=O)CNC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1CNC(=O)CNC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_CACTVS_TPSA>
91.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
414.16919058

> <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  16  8
12  13  8
12  23  8
13  24  8
15  20  8
17  21  8
18  22  8
18  25  8
20  21  8
22  28  8
23  26  8
24  27  8
25  29  8
26  27  8
28  30  8
29  30  8
5  12  8
5  16  8
6  10  8
6  13  8
8  15  8
8  9  8
9  17  8

$$$$