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

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H23N3O3/c1-13-8-14(2)11-22(10-13)18(23)12-25-19(24)17-9-16(20-21-17)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,20,21)