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

Systemtic Name: 1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-N-(3-pyridylmethyl)isonipecotamide Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O2S/c33-26(29-17-21-8-4-12-28-16-21)22-10-13-31(14-11-22)27(34)23-19-32(18-20-6-2-1-3-7-20)30-25(23)24-9-5-15-35-24/h1-9,12,15-16,19,22H,10-11,13-14,17-18H2,(H,29,33)