2-[1-[4-(2-pyridin-2-ylethynyl)phenyl]carbonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[1-[4-(2-pyridin-2-ylethynyl)phenyl]carbonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[1-[4-[2-(2-pyridyl)ethynyl]benzoyl]-4-piperidyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[1-[oxo-[4-[2-(2-pyridinyl)ethynyl]phenyl]methyl]-4-piperidinyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[1-[4-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[1-[4-[2-(2-pyridyl)ethynyl]benzoyl]-4-piperidyl]-N-(2-thenyl)acetamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)NCC2=CC=CS2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1CC(=O)NCC2=CC=CS2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C26H25N3O2S/c30-25(28-19-24-5-3-17-32-24)18-21-12-15-29(16-13-21)26(31)22-9-6-20(7-10-22)8-11-23-4-1-2-14-27-23/h1-7,9-10,14,17,21H,12-13,15-16,18-19H2,(H,28,30)