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

Systemtic Name: N-methyl-1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-piperidine-4-carboxamide Openeye Name: 1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-N-methyl-piperidine-4-carboxamide CAS Name: N-methyl-1-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)-N-methylpiperidine-4-carboxamide Traditional Name: 1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-N-methyl-isonipecotamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-23-21(27)17-9-11-25(12-10-17)22(28)18-15-26(14-16-6-3-2-4-7-16)24-20(18)19-8-5-13-29-19/h2-8,13,15,17H,9-12,14H2,1H3,(H,23,27)