6-chloranyl-3-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]isoquinolin-1-one

Systemtic Name: 6-chloranyl-3-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]isoquinolin-1-one Openeye Name: 6-chloro-3-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]isoquinolin-1-one CAS Name: 6-chloro-3-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]-1-isoquinolinone IUPAC Name: 6-chloro-3-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]isoquinolin-1-one Traditional Name: 6-chloro-3-(chloromethyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]isocarbostyril Formula: C18H12Cl2F3NO MolecularWeight: 386.19519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12Cl2F3NO/c1-24-15(9-19)16(10-2-4-11(5-3-10)18(21,22)23)14-8-12(20)6-7-13(14)17(24)25/h2-8H,9H2,1H3