(E)-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-3-en-1-one

Systemtic Name: (E)-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-3-en-1-one Openeye Name: (E)-1-[4-(4-chlorophenyl)-1-piperidyl]-4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-3-en-1-one CAS Name: (E)-1-[4-(4-chlorophenyl)-1-piperidinyl]-4-[4-(1-pyrrolidinylmethyl)phenyl]-3-buten-1-one IUPAC Name: (E)-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-3-en-1-one Traditional Name: (E)-1-[4-(4-chlorophenyl)piperidino]-4-[4-(pyrrolidinomethyl)phenyl]but-3-en-1-one Formula: C26H31ClN2O MolecularWeight: 422.99014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C=CCC(=O)N3CCC(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)/C=C/CC(=O)N3CCC(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN2O/c27-25-12-10-23(11-13-25)24-14-18-29(19-15-24)26(30)5-3-4-21-6-8-22(9-7-21)20-28-16-1-2-17-28/h3-4,6-13,24H,1-2,5,14-20H2/b4-3+