[3-(trifluoromethyl)phenyl]methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C23H15F3N2O3 MolecularWeight: 424.37201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H15F3N2O3/c24-23(25,26)16-8-6-7-15(13-16)14-31-22(30)20-18-11-4-5-12-19(18)21(29)28(27-20)17-9-2-1-3-10-17/h1-13H,14H2