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

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-3-(4-ethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-3-(4-ethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-3-(4-ethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-3-(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-4-keto-3-p-phenetyl-phthalazine-1-carboxamide Formula: C23H16BrF2N3O3 MolecularWeight: 500.292246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=C(C=C4Br)F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=C(C=C4Br)F)F

InChI

InChI=1S/C23H16BrF2N3O3/c1-2-32-15-9-7-14(8-10-15)29-23(31)17-6-4-3-5-16(17)20(28-29)22(30)27-21-18(24)11-13(25)12-19(21)26/h3-12H,2H2,1H3,(H,27,30)