1-(3,5-dimethylphenyl)carbonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: 1-(3,5-dimethylphenyl)carbonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: 1-(3,5-dimethylbenzoyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: 1-[(3,5-dimethylphenyl)-oxomethyl]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(3,5-dimethylbenzoyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: 1-(3,5-dimethylbenzoyl)-N-[2-(pyrrolidinomethyl)benzyl]nipecotamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3CN4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3CN4CCCC4)C

InChI

InChI=1S/C27H35N3O2/c1-20-14-21(2)16-25(15-20)27(32)30-13-7-10-24(19-30)26(31)28-17-22-8-3-4-9-23(22)18-29-11-5-6-12-29/h3-4,8-9,14-16,24H,5-7,10-13,17-19H2,1-2H3,(H,28,31)