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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(4-bromo-2-fluoro-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(4-bromo-2-fluorophenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(4-bromo-2-fluoro-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C22H15BrFN3O2 MolecularWeight: 452.275803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H15BrFN3O2/c23-15-10-11-19(18(24)12-15)25-21(28)20-16-8-4-5-9-17(16)22(29)27(26-20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28)