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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O[C@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H27N3O3/c1-18-22(19(2)28(26-18)21-14-8-4-9-15-21)25(30)31-23(20-12-6-3-7-13-20)24(29)27-16-10-5-11-17-27/h3-4,6-9,12-15,23H,5,10-11,16-17H2,1-2H3/t23-/m1/s1