(3S)-1-(4-chlorophenyl)carbonyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-[2-(2-thienylmethyl)pyrazol-3-yl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-[2-(2-thenyl)pyrazol-3-yl]nipecotamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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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=NN3CC4=CC=CS4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=NN3CC4=CC=CS4

InChI

InChI=1S/C21H21ClN4O2S/c22-17-7-5-15(6-8-17)21(28)25-11-1-3-16(13-25)20(27)24-19-9-10-23-26(19)14-18-4-2-12-29-18/h2,4-10,12,16H,1,3,11,13-14H2,(H,24,27)/t16-/m0/s1