4-(4-chlorophenyl)-1-[4-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine

Systemtic Name: 4-(4-chlorophenyl)-1-[4-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine Openeye Name: 4-(4-chlorophenyl)-1-[4-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine CAS Name: 4-(4-chlorophenyl)-1-[4-[2-methyl-4-(1-pyrrolidinylmethyl)phenyl]but-3-ynyl]piperidine IUPAC Name: 4-(4-chlorophenyl)-1-[4-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine Traditional Name: 4-(4-chlorophenyl)-1-[4-[2-methyl-4-(pyrrolidinomethyl)phenyl]but-3-ynyl]piperidine Formula: C27H33ClN2 MolecularWeight: 421.01732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCCC2)C#CCCN3CCC(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCCC2)C#CCCN3CCC(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H33ClN2/c1-22-20-23(21-30-16-4-5-17-30)7-8-24(22)6-2-3-15-29-18-13-26(14-19-29)25-9-11-27(28)12-10-25/h7-12,20,26H,3-5,13-19,21H2,1H3