3-[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(4-fluorobenzoyl)-2-oxoazepan-3-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[1-(4-fluorobenzoyl)-2-keto-azepan-3-yl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H18FN3O5 MolecularWeight: 423.393823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O5/c23-14-10-8-13(9-11-14)19(27)25-12-4-3-7-17(21(25)29)26-20(28)16-6-2-1-5-15(16)18(24-26)22(30)31/h1-2,5-6,8-11,17H,3-4,7,12H2,(H,30,31)