
 CHEMBL2315676

 66 71  0  0  0  0  0  0  0  0999 V2000
    1.0465   -4.2592    3.8796 C   0  0  0  0  0
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    1.5262   -2.4976   -0.9831 H   0  0  0  0  0
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    0.7581   -2.6601  -12.2756 H   0  0  0  0  0
   -1.9070   -2.8961  -11.3611 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4 37  1  0  0  0
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  6 39  1  0  0  0
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 31 32  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315676

>  <PubChem CID>
71720414

>  <Formula>
C27H34N4O

>  <Molecular Weight>
430.596000

>  <IUPAC Name>
3-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-benzimidazol-2-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1CN2CCC(CC2)N3CC4CC(CC4C3)N5C6=CC=CC=C6NC5=O

>  <Isomeric SMILES>
CC1=CC=CC=C1CN2CCC(CC2)N3CC4CC(CC4C3)N5C6=CC=CC=C6NC5=O

>  <InChI Std. ID>
InChI=1S/C27H34N4O/c1-19-6-2-3-7-20(19)16-29-12-10-23(11-13-29)30-17-21-14-24(15-22(21)18-30)31-26-9-5-4-8-25(26)28-27(31)32/h2-9,21-24H,10-18H2,1H3,(H,28,32)

>  <InChI Key>
QRRQQYRPTIHQKL-UHFFFAOYSA-N

