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

Systemtic Name: ethyl 1-[1-(3-chlorophenyl)-5-methyl-3-(2-methylpropyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3-chlorophenyl)-3-isobutyl-5-methyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(3-chlorophenyl)-5-methyl-3-(2-methylpropyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chlorophenyl)-5-methyl-3-(2-methylpropyl)pyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-chlorophenyl)-3-isobutyl-5-methyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C23H30ClN3O3 MolecularWeight: 431.9556

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O3/c1-5-30-23(29)17-8-7-11-26(14-17)22(28)21-16(4)27(25-20(21)12-15(2)3)19-10-6-9-18(24)13-19/h6,9-10,13,15,17H,5,7-8,11-12,14H2,1-4H3