[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid [2-keto-2-(4-methylpiperidino)ethyl] ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H26ClN3O3/c1-14-8-10-24(11-9-14)19(26)13-28-21(27)20-15(2)23-25(16(20)3)12-17-6-4-5-7-18(17)22/h4-7,14H,8-13H2,1-3H3