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

Systemtic Name: 4-(4-chlorophenyl)-1-[4-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine Openeye Name: 4-(4-chlorophenyl)-1-[4-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine CAS Name: 4-(4-chlorophenyl)-1-[4-[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]but-3-ynyl]piperidine IUPAC Name: 4-(4-chlorophenyl)-1-[4-[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine Traditional Name: 4-(4-chlorophenyl)-1-[4-[3-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)C#CCCN2CCC(CC2)C3=CC=C(C=C3)Cl)CN4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCCN2CCC(CC2)C3=CC=C(C=C3)Cl)CN4CCCC4

InChI

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