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

Systemtic Name: 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one Openeye Name: 2-[4-(4-chlorophenyl)-1-piperidyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one CAS Name: 2-[4-(4-chlorophenyl)-1-piperidinyl]-1-[4-(1-pyrrolidinylmethyl)phenyl]-1-butanone IUPAC Name: 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-one Traditional Name: 2-[4-(4-chlorophenyl)piperidino]-1-[4-(pyrrolidinomethyl)phenyl]butan-1-one Formula: C26H33ClN2O MolecularWeight: 425.00602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClN2O/c1-2-25(29-17-13-22(14-18-29)21-9-11-24(27)12-10-21)26(30)23-7-5-20(6-8-23)19-28-15-3-4-16-28/h5-12,22,25H,2-4,13-19H2,1H3