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

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C16H16F3N3O4 MolecularWeight: 371.31115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N3O4/c1-9(2)22-14(24)11-6-4-3-5-10(11)13(21-22)15(25)26-7-12(23)20-8-16(17,18)19/h3-6,9H,7-8H2,1-2H3,(H,20,23)