1-(2-methylphenyl)carbonyl-N-[3-(2-phenylethynyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methylphenyl)carbonyl-N-[3-(2-phenylethynyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(2-methylbenzoyl)-N-[3-(2-phenylethynyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)-oxomethyl]-N-[3-(2-phenylethynyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methylbenzoyl)-N-[3-(2-phenylethynyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-o-toluoyl-N-[3-(2-phenylethynyl)phenyl]isonipecotamide Formula: C28H26N2O2 MolecularWeight: 422.51824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O2/c1-21-8-5-6-13-26(21)28(32)30-18-16-24(17-19-30)27(31)29-25-12-7-11-23(20-25)15-14-22-9-3-2-4-10-22/h2-13,20,24H,16-19H2,1H3,(H,29,31)