2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-methylpiperazin-1-yl)-3H-isoindol-1-one

Systemtic Name: 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-methylpiperazin-1-yl)-3H-isoindol-1-one Openeye Name: 5-(4-methylpiperazin-1-yl)-2-[(3R)-quinuclidin-3-yl]isoindolin-1-one CAS Name: 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-methyl-1-piperazinyl)-3H-isoindol-1-one IUPAC Name: 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(4-methylpiperazin-1-yl)-3H-isoindol-1-one Traditional Name: 5-(4-methylpiperazino)-2-[(3R)-quinuclidin-3-yl]isoindolin-1-one Formula: C20H28N4O MolecularWeight: 340.46252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2)C(=O)N(C3)C4CN5CCC4CC5

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)C(=O)N(C3)[C@H]4CN5CCC4CC5

InChI

InChI=1S/C20H28N4O/c1-21-8-10-23(11-9-21)17-2-3-18-16(12-17)13-24(20(18)25)19-14-22-6-4-15(19)5-7-22/h2-3,12,15,19H,4-11,13-14H2,1H3/t19-/m0/s1