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

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-3-(3-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-3-(3-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-3-(3-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-3-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-4-keto-3-(3-methoxyphenyl)phthalazine-1-carboxamide Formula: C22H14BrF2N3O3 MolecularWeight: 486.265666

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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=C(C=C4Br)F)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=C(C=C4Br)F)F

InChI

InChI=1S/C22H14BrF2N3O3/c1-31-14-6-4-5-13(11-14)28-22(30)16-8-3-2-7-15(16)19(27-28)21(29)26-20-17(23)9-12(24)10-18(20)25/h2-11H,1H3,(H,26,29)