N-[(4-methylphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-3-carboxamide Openeye Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-N-(p-tolylmethyl)piperidine-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide Traditional Name: N-(4-methylbenzyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)nipecotamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H29N5O2/c1-21-11-13-22(14-12-21)18-29-26(34)23-8-7-17-32(20-23)28(35)25-19-30-33(24-9-3-2-4-10-24)27(25)31-15-5-6-16-31/h2-6,9-16,19,23H,7-8,17-18,20H2,1H3,(H,29,34)