[2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [2,6-dimethyl-4-(3-methyl-4-oxo-phthalazin-1-yl)phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2,6-dimethyl-4-(3-methyl-4-oxo-1-phthalazinyl)phenyl] ester IUPAC Name: [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-(4-keto-3-methyl-phthalazin-1-yl)-2,6-dimethyl-phenyl] ester Formula: C25H19F3N2O3 MolecularWeight: 452.42517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)C(F)(F)F)C)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)C(F)(F)F)C)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H19F3N2O3/c1-14-12-17(21-19-6-4-5-7-20(19)23(31)30(3)29-21)13-15(2)22(14)33-24(32)16-8-10-18(11-9-16)25(26,27)28/h4-13H,1-3H3