2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-isoquinolin-1-one

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-isoquinolin-1-one Openeye Name: 5-methyl-2-quinuclidin-3-yl-isoquinolin-1-one CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1-isoquinolinone IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylisoquinolin-1-one Traditional Name: 5-methyl-2-quinuclidin-3-yl-isocarbostyril Formula: C17H20N2O MolecularWeight: 268.3535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=CN(C2=O)C3CN4CCC3CC4

Isomeric SMILES

CC1=CC=CC2=C1C=CN(C2=O)C3CN4CCC3CC4

InChI

InChI=1S/C17H20N2O/c1-12-3-2-4-15-14(12)7-10-19(17(15)20)16-11-18-8-5-13(16)6-9-18/h2-4,7,10,13,16H,5-6,8-9,11H2,1H3