2-(4-methoxyphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-(4-methoxyphenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(4-methoxyphenyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2S/c1-33-23-11-9-22(10-12-23)31-25(18-24(29-31)26-8-5-17-34-26)27(32)28-21-13-15-30(16-14-21)19-20-6-3-2-4-7-20/h2-12,17-18,21H,13-16,19H2,1H3,(H,28,32)