3-[3-(3-fluorophenyl)-2,7-dimethyl-1-oxidanylidene-isoquinolin-4-yl]-N-methyl-propanamide

Systemtic Name: 3-[3-(3-fluorophenyl)-2,7-dimethyl-1-oxidanylidene-isoquinolin-4-yl]-N-methyl-propanamide Openeye Name: 3-[3-(3-fluorophenyl)-2,7-dimethyl-1-oxo-4-isoquinolyl]-N-methyl-propanamide CAS Name: 3-[3-(3-fluorophenyl)-2,7-dimethyl-1-oxo-4-isoquinolinyl]-N-methylpropanamide IUPAC Name: 3-[3-(3-fluorophenyl)-2,7-dimethyl-1-oxoisoquinolin-4-yl]-N-methylpropanamide Traditional Name: 3-[3-(3-fluorophenyl)-1-keto-2,7-dimethyl-4-isoquinolyl]-N-methyl-propionamide Formula: C21H21FN2O2 MolecularWeight: 352.402043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N(C2=O)C)C3=CC(=CC=C3)F)CCC(=O)NC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N(C2=O)C)C3=CC(=CC=C3)F)CCC(=O)NC

InChI

InChI=1S/C21H21FN2O2/c1-13-7-8-16-17(9-10-19(25)23-2)20(14-5-4-6-15(22)12-14)24(3)21(26)18(16)11-13/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)