N-phenyl-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide

Systemtic Name: N-phenyl-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide Openeye Name: 1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-N-phenyl-nipecotamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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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)NC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c32-26(28-22-12-5-2-6-13-22)21-11-7-15-30(18-21)27(33)23-19-31(17-20-9-3-1-4-10-20)29-25(23)24-14-8-16-34-24/h1-6,8-10,12-14,16,19,21H,7,11,15,17-18H2,(H,28,32)