[2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [2-[(5-fluoranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [2-(5-fluoro-2-methyl-anilino)-2-oxo-ethyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [2-(5-fluoro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [2-(5-fluoro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H17FN4O5 MolecularWeight: 412.371183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

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