N-(4-bromanyl-2-fluoranyl-phenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C21H13BrFN3O2 MolecularWeight: 438.249223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H13BrFN3O2/c22-13-10-11-18(17(23)12-13)24-20(27)19-15-8-4-5-9-16(15)21(28)26(25-19)14-6-2-1-3-7-14/h1-12H,(H,24,27)