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

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C20H17FN4O5 MolecularWeight: 412.371183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN4O5/c1-25-19(28)15-5-3-2-4-14(15)18(24-25)20(29)30-11-17(27)22-10-16(26)23-13-8-6-12(21)7-9-13/h2-9H,10-11H2,1H3,(H,22,27)(H,23,26)