2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]-N-methyl-ethanamide

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]-N-methyl-ethanamide Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-1,3-dioxo-4H-isoquinolin-4-yl]-N-methyl-acetamide CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-1,3-dioxo-4H-isoquinolin-4-yl]-N-methylacetamide IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-1,3-dioxo-4H-isoquinolin-4-yl]-N-methylacetamide Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-1,3-diketo-4H-isoquinolin-4-yl]-N-methyl-acetamide Formula: C19H16BrFN2O3 MolecularWeight: 419.244343

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CNC(=O)CC1C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H16BrFN2O3/c1-22-17(24)9-15-13-4-2-3-5-14(13)18(25)23(19(15)26)10-11-6-7-12(20)8-16(11)21/h2-8,15H,9-10H2,1H3,(H,22,24)