
 CHEMBL68440

 70 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL68440

>  <PubChem CID>
21831101

>  <Formula>
C30H32Cl2N4O2

>  <Molecular Weight>
551.512000

>  <IUPAC Name>
N-[2-(3,4-dichlorophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide

>  <XlogP>
6.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC(CCN1CCC(CC1)N2C3=CC=CC=C3NC2=O)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5

>  <Isomeric SMILES>
CN(CC(CCN1CCC(CC1)N2C3=CC=CC=C3NC2=O)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H32Cl2N4O2/c1-34(29(37)21-7-3-2-4-8-21)20-23(22-11-12-25(31)26(32)19-22)13-16-35-17-14-24(15-18-35)36-28-10-6-5-9-27(28)33-30(36)38/h2-12,19,23-24H,13-18,20H2,1H3,(H,33,38)

>  <InChI Key>
FSVMBYSTSUIRJD-UHFFFAOYSA-N

