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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperidine-3-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]nipecotamide Formula: C25H21ClN2O2S MolecularWeight: 448.96444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C25H21ClN2O2S/c26-21-11-9-19(10-12-21)25(30)28-14-2-5-20(17-28)24(29)27-22-6-1-4-18(16-22)8-13-23-7-3-15-31-23/h1,3-4,6-7,9-12,15-16,20H,2,5,14,17H2,(H,27,29)