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

Systemtic Name: ethyl 1-[5-methyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-isobutyl-5-methyl-1-(m-tolyl)pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-methyl-1-(3-methylphenyl)-3-(2-methylpropyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-methyl-1-(3-methylphenyl)-3-(2-methylpropyl)pyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-isobutyl-5-methyl-1-(m-tolyl)pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2CC(C)C)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2CC(C)C)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C24H33N3O3/c1-6-30-24(29)19-10-8-12-26(15-19)23(28)22-18(5)27(25-21(22)13-16(2)3)20-11-7-9-17(4)14-20/h7,9,11,14,16,19H,6,8,10,12-13,15H2,1-5H3