53383321
  -OEChem-05052410242D

 56 60  0     1  0  0  0  0  0999 V2000
    3.7320   -0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    3.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    0.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    2.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    1.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    2.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1097    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -0.0058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113    3.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    0.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    2.4817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -4.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -3.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2386    1.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3954    2.9204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310    4.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 22  1  0  0  0  0
  3 34  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  5 36  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 25  2  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 35  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 25  1  0  0  0  0
 17 38  1  0  0  0  0
 18 26  2  0  0  0  0
 18 39  1  0  0  0  0
 19 24  1  0  0  0  0
 19 40  1  0  0  0  0
 20 27  1  0  0  0  0
 20 29  1  0  0  0  0
 21 28  2  0  0  0  0
 21 30  1  0  0  0  0
 22 32  2  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 31  2  0  0  0  0
 27 43  1  0  0  0  0
 28 31  1  0  0  0  0
 28 44  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 33  1  0  0  0  0
 32 54  1  0  0  0  0
 33 34  2  0  0  0  0
 33 55  1  0  0  0  0
 34 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383321

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
770

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAASAAAAA8YIEAAAAAAACB9AAAHgAQAAAADCzhmgY+xJPIFECoA7131ASCiCA1IiAI2CG+fNgMZv7MtbuWOSjm9hHI6YeYyUAOAAACAAACACAAAAQAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,6-dimethylphenyl)-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,6-dimethylphenyl)-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,6-dimethylphenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME>
N-(2,6-dimethylphenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,6-dimethylphenyl)-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-2-pyridin-4-yl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,6-dimethylphenyl)-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H22N4O3/c1-17-7-5-8-18(2)23(17)30-26(32)25(19-12-14-28-15-13-19)31-21-10-4-3-9-20(21)29-24(27(31)33)22-11-6-16-34-22/h3-16,25H,1-2H3,(H,30,32)

> <PUBCHEM_IUPAC_INCHIKEY>
GJPRSIGHIYAOGV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
450.16919058

> <PUBCHEM_MOLECULAR_FORMULA>
C27H22N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
450.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=NC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=NC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
87.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
450.16919058

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
10  17  8
10  18  8
12  14  8
13  19  8
15  23  8
16  20  8
16  21  8
17  25  8
18  26  8
19  24  8
20  27  8
21  28  8
22  32  8
23  24  8
27  31  8
28  31  8
3  22  8
3  34  8
32  33  8
33  34  8
4  12  8
4  9  8
6  13  8
6  14  8
7  25  8
7  26  8
8  11  3
9  13  8
9  15  8

$$$$