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

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-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-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-14-9-15(2)12-22(11-14)19(24)13-26-20(25)18-10-21-23(16(18)3)17-7-5-4-6-8-17/h4-8,10,14-15H,9,11-13H2,1-3H3