[2-(trifluoromethyl)phenyl]methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [2-(trifluoromethyl)benzyl] ester Formula: C21H19F3N2O3 MolecularWeight: 404.38237

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H19F3N2O3/c1-13(2)11-26-19(27)16-9-5-4-8-15(16)18(25-26)20(28)29-12-14-7-3-6-10-17(14)21(22,23)24/h3-10,13H,11-12H2,1-2H3