53383153
  -OEChem-05072414082D

 59 62  0     1  0  0  0  0  0999 V2000
    8.4282   -2.4672    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.1012    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -0.7352    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    4.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3988    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    3.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    2.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1097    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    3.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.1838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.5186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.2089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.6838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.9936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113    0.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113    4.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    1.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    3.2317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2386    2.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3954    3.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310    5.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 13  2  0  0  0  0
  5 16  2  0  0  0  0
  6 28  1  0  0  0  0
  6 35  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 41  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 12 18  1  0  0  0  0
 12 23  2  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 26  2  0  0  0  0
 19 28  1  0  0  0  0
 20 24  1  0  0  0  0
 20 44  1  0  0  0  0
 21 25  2  0  0  0  0
 21 45  1  0  0  0  0
 22 31  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 29  1  0  0  0  0
 23 48  1  0  0  0  0
 24 27  2  0  0  0  0
 24 49  1  0  0  0  0
 25 27  1  0  0  0  0
 25 50  1  0  0  0  0
 26 30  1  0  0  0  0
 26 51  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  2  0  0  0  0
 29 30  2  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 33 34  1  0  0  0  0
 33 57  1  0  0  0  0
 34 35  2  0  0  0  0
 34 58  1  0  0  0  0
 35 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383153

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
780

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHwAQAAAADCzhmBYyxIPABECoA61y1ASCCAAlIgAIiIGufNgMZr7MtbuWOSjm9hHI6YeYyMCOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24F3N3O3/c1-2-3-6-15-30-24(33)23(17-11-13-18(14-12-17)26(27,28)29)32-20-9-5-4-8-19(20)31-22(25(32)34)21-10-7-16-35-21/h4-5,7-14,16,23H,2-3,6,15H2,1H3,(H,30,33)

> <PUBCHEM_IUPAC_INCHIKEY>
CZITZLPKDOIEAQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
483.17697612

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24F3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
483.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCNC(=O)C(C1=CC=C(C=C1)C(F)(F)F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCNC(=O)C(C1=CC=C(C=C1)C(F)(F)F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
483.17697612

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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  13  3
11  20  8
11  21  8
12  18  8
12  23  8
16  19  8
18  26  8
20  24  8
21  25  8
23  29  8
24  27  8
25  27  8
26  30  8
28  33  8
29  30  8
33  34  8
34  35  8
6  28  8
6  35  8
7  12  8
7  16  8
9  18  8
9  19  8

$$$$