[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)-3-phenyl-4-pyrazolecarboxylic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)O[C@@H](C)C(=O)N

InChI

InChI=1S/C20H19N3O3/c1-13-8-10-16(11-9-13)23-12-17(20(25)26-14(2)19(21)24)18(22-23)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H2,21,24)/t14-/m0/s1