2-[4-(4-chlorophenyl)piperidin-1-yl]-1-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one

Systemtic Name: 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one Openeye Name: 2-[4-(4-chlorophenyl)-1-piperidyl]-1-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one CAS Name: 2-[4-(4-chlorophenyl)-1-piperidinyl]-1-[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]-1-butanone IUPAC Name: 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one Traditional Name: 2-[4-(4-chlorophenyl)piperidino]-1-[3-methyl-4-(pyrrolidinomethyl)phenyl]butan-1-one Formula: C27H35ClN2O MolecularWeight: 439.0326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=C(C=C1)CN2CCCC2)C)N3CCC(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=O)C1=CC(=C(C=C1)CN2CCCC2)C)N3CCC(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H35ClN2O/c1-3-26(30-16-12-22(13-17-30)21-8-10-25(28)11-9-21)27(31)23-6-7-24(20(2)18-23)19-29-14-4-5-15-29/h6-11,18,22,26H,3-5,12-17,19H2,1-2H3