N-(2-ethyl-6-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

InChI

InChI=1S/C29H31N5O2/c1-3-22-11-9-10-21(2)26(22)31-27(35)23-14-18-33(19-15-23)29(36)25-20-30-34(24-12-5-4-6-13-24)28(25)32-16-7-8-17-32/h4-13,16-17,20,23H,3,14-15,18-19H2,1-2H3,(H,31,35)