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

Systemtic Name: 1-(3-methylphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(3-methylphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O/c1-21-8-7-11-24(18-21)32-27(31-14-5-6-15-31)25(19-28-32)26(33)29-23-12-16-30(17-13-23)20-22-9-3-2-4-10-22/h2-11,14-15,18-19,23H,12-13,16-17,20H2,1H3,(H,29,33)