ethyl 1-[2-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3/c1-6-34-28(33)22-11-13-30(14-12-22)27(32)26-17-24(23-10-9-19(3)21(5)16-23)29-31(26)25-15-18(2)7-8-20(25)4/h7-10,15-17,22H,6,11-14H2,1-5H3