53383338
  -OEChem-05052415392D

 57 60  0     1  0  0  0  0  0999 V2000
    2.9340   -0.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5026    3.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6012    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9340   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340   -3.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340   -1.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3116    1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    2.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4808    3.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -0.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -2.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580   -2.5643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -3.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -3.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970   -3.7772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7440   -4.0042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9709   -3.1572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -1.4252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240   -1.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8970   -2.0452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -2.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.2317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4405    1.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5974    2.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7329    4.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101   -3.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -4.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7501   -3.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 16  2  0  0  0  0
  3 25  1  0  0  0  0
  3 31  1  0  0  0  0
  4 27  1  0  0  0  0
  4 32  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 34  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 33  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 19  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 12 21  2  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 25  1  0  0  0  0
 19 23  1  0  0  0  0
 19 44  1  0  0  0  0
 20 24  2  0  0  0  0
 20 45  1  0  0  0  0
 21 26  1  0  0  0  0
 21 46  1  0  0  0  0
 22 28  1  0  0  0  0
 22 47  1  0  0  0  0
 23 27  2  0  0  0  0
 23 48  1  0  0  0  0
 24 27  1  0  0  0  0
 24 49  1  0  0  0  0
 25 29  2  0  0  0  0
 26 28  2  0  0  0  0
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 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
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 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
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 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383338

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
723

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHgAQAAAADKzhmAYyxoPABECoA61y1ASCCAAlIgAIiAGufNgMZr7MtbuWOSjm9hHI6YeY2IOOIAAAAAAAACBAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-tert-butyl-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-tert-butyl-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-<I>tert</I>-butyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-tert-butyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-tert-butyl-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-2-(4-methoxyphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-tert-butyl-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H25N3O4/c1-25(2,3)27-23(29)22(16-11-13-17(31-4)14-12-16)28-19-9-6-5-8-18(19)26-21(24(28)30)20-10-7-15-32-20/h5-15,22H,1-4H3,(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
HOIGTZQLSILTKW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
431.18450629

> <PUBCHEM_MOLECULAR_FORMULA>
C25H25N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
431.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)NC(=O)C(C1=CC=C(C=C1)OC)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)NC(=O)C(C1=CC=C(C=C1)OC)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
84.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
431.18450629

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  19  8
11  20  8
12  17  8
12  21  8
16  18  8
17  22  8
19  23  8
20  24  8
21  26  8
22  28  8
23  27  8
24  27  8
25  29  8
26  28  8
29  30  8
3  25  8
3  31  8
30  31  8
5  12  8
5  16  8
7  17  8
7  18  8
8  10  3

$$$$