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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (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)C2=NN(C=C2C(=O)OC(C)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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