[1-(2,6-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [1-(2,6-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [1-(2,6-dimethyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [2-(2,6-dimethylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C23H30ClN3O3 MolecularWeight: 431.9556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C(C)OC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)Cl)C

Isomeric SMILES

CC1CCCC(N1C(=O)C(C)OC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)Cl)C

InChI

InChI=1S/C23H30ClN3O3/c1-14-9-11-19(12-10-14)13-26-21(24)20(17(4)25-26)23(29)30-18(5)22(28)27-15(2)7-6-8-16(27)3/h9-12,15-16,18H,6-8,13H2,1-5H3