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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C20H17F3N2O3 MolecularWeight: 390.35579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O3/c1-12(2)25-18(26)16-9-4-3-8-15(16)17(24-25)19(27)28-11-13-6-5-7-14(10-13)20(21,22)23/h3-10,12H,11H2,1-2H3