[4-(4,4-dimethyl-3-oxidanylidene-pentyl)-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl] benzoate

Systemtic Name: [4-(4,4-dimethyl-3-oxidanylidene-pentyl)-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl] benzoate Openeye Name: [4-(4,4-dimethyl-3-oxo-pentyl)-5-oxo-1,2-diphenyl-pyrazol-3-yl] benzoate CAS Name: benzoic acid [4-(4,4-dimethyl-3-oxopentyl)-5-oxo-1,2-diphenyl-3-pyrazolyl] ester IUPAC Name: [4-(4,4-dimethyl-3-oxopentyl)-5-oxo-1,2-diphenylpyrazol-3-yl] benzoate Traditional Name: benzoic acid [5-keto-4-(3-keto-4,4-dimethyl-pentyl)-1,2-diphenyl-3-pyrazolin-3-yl] ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4/c1-29(2,3)25(32)20-19-24-26(33)30(22-15-9-5-10-16-22)31(23-17-11-6-12-18-23)27(24)35-28(34)21-13-7-4-8-14-21/h4-18H,19-20H2,1-3H3