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

Systemtic Name: ethyl 1-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-phenyl-3-(p-tolyl)pyrazole-4-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=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CN(N=C2C3=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)22-17-28(21-7-5-4-6-8-21)26-23(22)19-11-9-18(2)10-12-19/h4-12,17,20H,3,13-16H2,1-2H3