3-methyl-1-(4-methylphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 3-methyl-1-(4-methylphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 3-methyl-1-(4-methylphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-methyl-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H31N5O/c1-21-10-12-25(13-11-21)33-28(32-16-6-7-17-32)26(22(2)30-33)27(34)29-24-14-18-31(19-15-24)20-23-8-4-3-5-9-23/h3-13,16-17,24H,14-15,18-20H2,1-2H3,(H,29,34)