(3S)-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxamide

Systemtic Name: (3S)-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxamide Openeye Name: (3S)-1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperidine-3-carboxamide CAS Name: (3S)-1-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]nipecotamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H22N4O2S/c22-20(26)16-8-4-10-24(13-16)21(27)17-14-25(12-15-6-2-1-3-7-15)23-19(17)18-9-5-11-28-18/h1-3,5-7,9,11,14,16H,4,8,10,12-13H2,(H2,22,26)/t16-/m0/s1