ethyl 1-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-phenyl-2-(p-tolyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylphenyl)-5-phenylpyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-phenyl-2-(p-tolyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-3-31-25(30)20-13-15-27(16-14-20)24(29)23-17-22(19-7-5-4-6-8-19)26-28(23)21-11-9-18(2)10-12-21/h4-12,17,20H,3,13-16H2,1-2H3