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

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-3-(3,5-dimethoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-3-(3,5-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-3-(3,5-dimethoxyphenyl)-4-keto-phthalazine-1-carboxamide Formula: C23H16BrF2N3O4 MolecularWeight: 516.291646

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H16BrF2N3O4/c1-32-14-9-13(10-15(11-14)33-2)29-23(31)17-6-4-3-5-16(17)20(28-29)22(30)27-21-18(24)7-12(25)8-19(21)26/h3-11H,1-2H3,(H,27,30)