[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H17FN2O4 MolecularWeight: 368.358383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O4/c1-23-19(25)16-6-3-2-5-15(16)18(22-23)20(26)27-12-4-7-17(24)13-8-10-14(21)11-9-13/h2-3,5-6,8-11H,4,7,12H2,1H3