[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O[C@H](C)C(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O3/c1-14-18(15(2)23(21-14)17-10-6-4-7-11-17)20(25)26-16(3)19(24)22-12-8-5-9-13-22/h4,6-7,10-11,16H,5,8-9,12-13H2,1-3H3/t16-/m1/s1