N-(2-methylphenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(2-methylphenyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: N-(o-tolyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: N-(2-methylphenyl)-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methylphenyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(o-tolyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]isonipecotamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2CCN(CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2CCN(CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

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