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

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-1-(2-thenoyl)isonipecotamide Formula: C24H21N3O2S MolecularWeight: 415.50744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H21N3O2S/c28-23(19-11-14-27(15-12-19)24(29)22-8-4-16-30-22)26-21-7-3-5-18(17-21)9-10-20-6-1-2-13-25-20/h1-8,13,16-17,19H,11-12,14-15H2,(H,26,28)