[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C23H20FN3O5 MolecularWeight: 437.420403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN3O5/c1-26-21(29)17-7-3-2-6-16(17)19(25-26)23(31)32-18-8-4-5-13-27(22(18)30)20(28)14-9-11-15(24)12-10-14/h2-3,6-7,9-12,18H,4-5,8,13H2,1H3