N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-[4-(trifluoromethyl)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-[4-(trifluoromethyl)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[3-[2-(2-thienyl)ethynyl]phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide Traditional Name: N-[3-[2-(2-thienyl)ethynyl]phenyl]-1-[4-(trifluoromethyl)benzoyl]isonipecotamide Formula: C26H21F3N2O2S MolecularWeight: 482.51735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H21F3N2O2S/c27-26(28,29)21-9-7-20(8-10-21)25(33)31-14-12-19(13-15-31)24(32)30-22-4-1-3-18(17-22)6-11-23-5-2-16-34-23/h1-5,7-10,16-17,19H,12-15H2,(H,30,32)