N-[2,6-bis(fluoranyl)phenyl]-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(2,6-difluorophenyl)-3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2,6-difluorophenyl)-3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2,6-difluorophenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(2,6-difluorophenyl)-3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C23H17F2N3O4 MolecularWeight: 437.395586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC=C4F)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC=C4F)F)OC

InChI

InChI=1S/C23H17F2N3O4/c1-31-14-10-13(11-15(12-14)32-2)28-23(30)17-7-4-3-6-16(17)20(27-28)22(29)26-21-18(24)8-5-9-19(21)25/h3-12H,1-2H3,(H,26,29)