[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O3/c1-15-10-12-19(13-11-15)14-24-22(27)18(4)29-23(28)21-16(2)25-26(17(21)3)20-8-6-5-7-9-20/h5-13,18H,14H2,1-4H3,(H,24,27)/t18-/m0/s1