[2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-(5-fluoro-2-methyl-anilino)-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-(5-fluoro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-(5-fluoro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C21H20FN3O4/c1-12(2)25-20(27)16-7-5-4-6-15(16)19(24-25)21(28)29-11-18(26)23-17-10-14(22)9-8-13(17)3/h4-10,12H,11H2,1-3H3,(H,23,26)