N-(3-ethanoylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H27N5O3/c1-20(34)22-8-7-9-23(18-22)30-26(35)21-12-16-32(17-13-21)28(36)25-19-29-33(24-10-3-2-4-11-24)27(25)31-14-5-6-15-31/h2-11,14-15,18-19,21H,12-13,16-17H2,1H3,(H,30,35)