3-oxidanylidenebutan-2-yl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-14(23)15(2)25-20(24)18-13-22(17-11-7-4-8-12-17)21-19(18)16-9-5-3-6-10-16/h3-13,15H,1-2H3