[2-(4-methoxyphenyl)-5-thiophen-2-yl-pyrazol-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [2-(4-methoxyphenyl)-5-thiophen-2-yl-pyrazol-3-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[2-(4-methoxyphenyl)-5-(2-thienyl)pyrazol-3-yl]methanone CAS Name: [2-(4-methoxyphenyl)-5-thiophen-2-yl-3-pyrazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[2-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanone Traditional Name: (4-benzylpiperidino)-[2-(4-methoxyphenyl)-5-(2-thienyl)pyrazol-3-yl]methanone Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S/c1-32-23-11-9-22(10-12-23)30-25(19-24(28-30)26-8-5-17-33-26)27(31)29-15-13-21(14-16-29)18-20-6-3-2-4-7-20/h2-12,17,19,21H,13-16,18H2,1H3