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

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]-N-ethyl-ethanamide Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-1,3-dioxo-4H-isoquinolin-4-yl]-N-ethyl-acetamide CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-1,3-dioxo-4H-isoquinolin-4-yl]-N-ethylacetamide IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-1,3-dioxo-4H-isoquinolin-4-yl]-N-ethylacetamide Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-1,3-diketo-4H-isoquinolin-4-yl]-N-ethyl-acetamide Formula: C20H18BrFN2O3 MolecularWeight: 433.270923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrFN2O3/c1-2-23-18(25)10-16-14-5-3-4-6-15(14)19(26)24(20(16)27)11-12-7-8-13(21)9-17(12)22/h3-9,16H,2,10-11H2,1H3,(H,23,25)