53383355
  -OEChem-05132422232D

 58 62  0     1  0  0  0  0  0999 V2000
    9.2942   -2.7172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.3512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -0.9852    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667    4.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1488    0.0000 C   0  0  3  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
    5.4641    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6488    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
    8.0622    0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5702    1.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5702    3.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    1.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    2.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9757    2.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    3.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1448    4.3512    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
    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773    0.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773    3.8034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    1.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    2.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1046    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2615    3.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3970    4.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -4.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -4.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
  6 25  1  0  0  0  0
  6 34  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 39  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  2  0  0  0  0
 14 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 25  1  0  0  0  0
 18 23  1  0  0  0  0
 18 40  1  0  0  0  0
 19 24  2  0  0  0  0
 19 41  1  0  0  0  0
 20 26  1  0  0  0  0
 20 42  1  0  0  0  0
 21 27  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 29  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 49  1  0  0  0  0
 31 35  1  0  0  0  0
 31 50  1  0  0  0  0
 32 36  2  0  0  0  0
 32 51  1  0  0  0  0
 33 34  2  0  0  0  0
 33 52  1  0  0  0  0
 34 53  1  0  0  0  0
 35 37  2  0  0  0  0
 35 54  1  0  0  0  0
 36 37  1  0  0  0  0
 36 55  1  0  0  0  0
 38 56  1  0  0  0  0
 38 57  1  0  0  0  0
 38 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383355

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
881

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OYAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAACB1AAAHwAQAAAADCzhmBYyxoPABECoA61y1ASCCAAlIgAIiAGufNgMZr7MtbuWOSjm9hHI6Ye4yMCOQEAAAAAAACCAgAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H20F3N3O4/c1-37-20-14-12-19(13-15-20)32-26(35)25(17-8-10-18(11-9-17)28(29,30)31)34-22-6-3-2-5-21(22)33-24(27(34)36)23-7-4-16-38-23/h2-16,25H,1H3,(H,32,35)

> <PUBCHEM_IUPAC_INCHIKEY>
LSGKXQLDCVLQRP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
519.14059061

> <PUBCHEM_MOLECULAR_FORMULA>
C28H20F3N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
519.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)C(F)(F)F)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)C(F)(F)F)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
84.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
519.14059061

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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  15  3
12  18  8
12  19  8
13  16  8
13  20  8
14  17  8
16  21  8
18  23  8
19  24  8
20  26  8
21  27  8
22  23  8
22  24  8
25  30  8
26  27  8
28  31  8
28  32  8
30  33  8
31  35  8
32  36  8
33  34  8
35  37  8
36  37  8
6  25  8
6  34  8
8  13  8
8  14  8
9  16  8
9  17  8

$$$$