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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

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