(3,3-dimethyl-2-oxidanylidene-butyl) 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-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=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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