[2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-(N-ethyl-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O4/c1-4-25(16-11-9-15(23)10-12-16)19(27)13-30-22(29)20-17-7-5-6-8-18(17)21(28)26(24-20)14(2)3/h5-12,14H,4,13H2,1-3H3