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

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 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-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-15-7-6-8-16(2)23(15)19(24)14-26-20(25)18-11-21-22(13-18)12-17-9-4-3-5-10-17/h3-5,9-11,13,15-16H,6-8,12,14H2,1-2H3