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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

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