(3,3-dimethyl-2-oxidanylidene-butyl) 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2,5-diphenylpyrazole-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-22(2,3)20(25)15-27-21(26)19-14-18(16-10-6-4-7-11-16)23-24(19)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3