
 CHEMBL26790

 77 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL26790

>  <PubChem CID>
23294208

>  <Formula>
C33H36Cl2N4O2

>  <Molecular Weight>
591.577000

>  <IUPAC Name>
3-[1-[3-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4(CCC(=O)N(C4)CC5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4(CCC(=O)N(C4)CC5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C33H36Cl2N4O2/c34-27-12-11-25(21-28(27)35)33(17-13-31(40)38(23-33)22-24-7-2-1-3-8-24)16-6-18-37-19-14-26(15-20-37)39-30-10-5-4-9-29(30)36-32(39)41/h1-5,7-12,21,26H,6,13-20,22-23H2,(H,36,41)

>  <InChI Key>
ADXFJIYJEFFOSY-UHFFFAOYSA-N

