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

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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