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

Systemtic Name: N-(phenylmethyl)-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-benzyl-1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]isonipecotamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c33-27(29-18-21-8-3-1-4-9-21)23-13-15-31(16-14-23)28(34)24-20-32(19-22-10-5-2-6-11-22)30-26(24)25-12-7-17-35-25/h1-12,17,20,23H,13-16,18-19H2,(H,29,33)