56588063
  -OEChem-04252405492D

 75 80  0     0  0  0  0  0  0999 V2000
   11.5253    7.2584    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1593    5.8924    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5253    5.5264    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7574    6.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8913    7.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5319    6.7988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366    3.2152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    3.2152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    9.2988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018   11.2988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5319    4.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    5.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    5.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    6.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5319    3.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5319    7.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    8.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0319    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0319    2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    7.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659    9.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5319    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5319    1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    8.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    9.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338    9.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0319    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0319    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    9.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678   10.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    9.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338   11.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358   10.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    9.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9338   12.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998   10.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418   11.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    9.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357   10.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998   12.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659   11.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6659   12.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0253    6.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8913    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9950    4.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0553    5.4065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    4.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6100    4.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0085    5.4065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    6.8814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0553    6.1912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0085    6.1912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6100    6.8814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1425    7.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7440    8.3814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9260    3.4078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998    7.1788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2028    9.6088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1519    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9119    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3969    7.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998   10.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3419    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7219    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    8.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3969   12.6088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998   10.1788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490   11.9534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7998   13.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2028   10.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2028   12.6088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2943    6.7024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 44  1  0  0  0  0
  2 44  1  0  0  0  0
  3 44  1  0  0  0  0
  4 45  1  0  0  0  0
  4 75  1  0  0  0  0
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  6 17  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
  7 57  1  0  0  0  0
  8 16  2  0  0  0  0
  8 20  1  0  0  0  0
  9 30  2  0  0  0  0
  9 32  1  0  0  0  0
 10 31  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 46  1  0  0  0  0
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 13 15  1  0  0  0  0
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 14 52  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 58  1  0  0  0  0
 22 26  2  0  0  0  0
 22 59  1  0  0  0  0
 23 28  1  0  0  0  0
 23 60  1  0  0  0  0
 24 29  1  0  0  0  0
 24 61  1  0  0  0  0
 25 27  2  0  0  0  0
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 26 27  1  0  0  0  0
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 31 33  1  0  0  0  0
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 38 69  1  0  0  0  0
 39 40  2  0  0  0  0
 39 70  1  0  0  0  0
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 41 43  2  0  0  0  0
 41 72  1  0  0  0  0
 42 43  1  0  0  0  0
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 43 74  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56588063

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
821

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB/sYAAAAAAAAAAAAAAAAAAAWAAAAA8eMGCAAAAAFix/gAAHwAQCAAADQjBnxQx2LfJkgCoAybybACCgC2hEqAJmSA4dJiIaOLAmZGUIAhokALIyCcQgMAOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)-1-piperidyl]methyl]phenyl]-3-phenyl-quinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]methyl]phenyl]-3-phenylquinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-[[4-(1<I>H</I>-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-quinoxaline;2,2,2-tris(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-[[4-(1H-benzimidazol-2-yl)piperidino]methyl]phenyl]-3-phenyl-quinoxaline;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C33H29N5.C2HF3O2/c1-2-8-24(9-3-1)31-32(35-28-11-5-4-10-27(28)34-31)25-16-14-23(15-17-25)22-38-20-18-26(19-21-38)33-36-29-12-6-7-13-30(29)37-33;3-2(4,5)1(6)7/h1-17,26H,18-22H2,(H,36,37);(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
WHGGFHXMHJEQMO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
609.23515970

> <PUBCHEM_MOLECULAR_FORMULA>
C35H30F3N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
609.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1C2=NC3=CC=CC=C3N2)CC4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5C7=CC=CC=C7.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1C2=NC3=CC=CC=C3N2)CC4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5C7=CC=CC=C7.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
95

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
609.23515970

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
45

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  31  8
10  34  8
18  21  8
18  22  8
19  20  8
19  23  8
20  24  8
21  25  8
22  26  8
23  28  8
24  29  8
25  27  8
26  27  8
28  29  8
30  31  8
32  34  8
32  35  8
33  36  8
33  37  8
34  38  8
35  39  8
36  41  8
37  42  8
38  40  8
39  40  8
41  43  8
42  43  8
7  16  8
7  19  8
8  16  8
8  20  8
9  30  8
9  32  8

$$$$