6-bromanyl-3-(chloromethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)isoquinolin-1-one

Systemtic Name: 6-bromanyl-3-(chloromethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 6-bromo-3-(chloromethyl)-4-(4-fluorophenyl)-2-isobutyl-isoquinolin-1-one CAS Name: 6-bromo-3-(chloromethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 6-bromo-3-(chloromethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 6-bromo-3-(chloromethyl)-4-(4-fluorophenyl)-2-isobutyl-isocarbostyril Formula: C20H18BrClFNO MolecularWeight: 422.718423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=C(C=C3)F)CCl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=C(C=C3)F)CCl

InChI

InChI=1S/C20H18BrClFNO/c1-12(2)11-24-18(10-22)19(13-3-6-15(23)7-4-13)17-9-14(21)5-8-16(17)20(24)25/h3-9,12H,10-11H2,1-2H3