1-(3-phenylpropanoyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-phenylpropanoyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(3-phenylpropanoyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]piperidine-4-carboxamide CAS Name: 1-(1-oxo-3-phenylpropyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-phenylpropanoyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-hydrocinnamoyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]isonipecotamide Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O2/c32-27(15-13-22-7-2-1-3-8-22)31-19-16-24(17-20-31)28(33)30-26-11-6-9-23(21-26)12-14-25-10-4-5-18-29-25/h1-11,18,21,24H,13,15-17,19-20H2,(H,30,33)