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

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3/c1-15-8-7-11-23(12-15)19(25)14-27-21(26)20-16(2)22-24(17(20)3)13-18-9-5-4-6-10-18/h4-6,9-10,15H,7-8,11-14H2,1-3H3