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

Systemtic Name: ethyl 1-[1-(3-chlorophenyl)-3-(2-methylpropyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3-chlorophenyl)-3-isobutyl-5-isopropyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(3-chlorophenyl)-3-(2-methylpropyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chlorophenyl)-3-(2-methylpropyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-chlorophenyl)-3-isobutyl-5-isopropyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C25H34ClN3O3 MolecularWeight: 460.00876

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN3O3/c1-6-32-25(31)18-9-8-12-28(15-18)24(30)22-21(13-16(2)3)27-29(23(22)17(4)5)20-11-7-10-19(26)14-20/h7,10-11,14,16-18H,6,8-9,12-13,15H2,1-5H3