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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3)C(=O)C4=CC=CS4

InChI

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