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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=NNC(=O)C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=NNC(=O)C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F

InChI

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