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

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloranyl-isoquinolin-1-one Openeye Name: 5-chloro-2-quinuclidin-3-yl-isoquinolin-1-one CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-1-isoquinolinone IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroisoquinolin-1-one Traditional Name: 5-chloro-2-quinuclidin-3-yl-isocarbostyril Formula: C16H17ClN2O MolecularWeight: 288.77198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N3C=CC4=C(C3=O)C=CC=C4Cl

Isomeric SMILES

C1CN2CCC1C(C2)N3C=CC4=C(C3=O)C=CC=C4Cl

InChI

InChI=1S/C16H17ClN2O/c17-14-3-1-2-13-12(14)6-9-19(16(13)20)15-10-18-7-4-11(15)5-8-18/h1-3,6,9,11,15H,4-5,7-8,10H2