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

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C21H17F3N2O4 MolecularWeight: 418.36589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N2O4/c1-12(2)26-19(28)16-9-4-3-8-15(16)18(25-26)20(29)30-11-17(27)13-6-5-7-14(10-13)21(22,23)24/h3-10,12H,11H2,1-2H3