[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C20H24ClN3O3/c1-13-9-14(2)11-23(10-13)17(25)12-27-20(26)18-15(3)22-24(19(18)21)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3