[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C17H18F3N3O4 MolecularWeight: 385.33773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C17H18F3N3O4/c1-10(2)7-23-15(25)12-6-4-3-5-11(12)14(22-23)16(26)27-8-13(24)21-9-17(18,19)20/h3-6,10H,7-9H2,1-2H3,(H,21,24)