1-azabicyclo[2.2.2]octan-3-yl-[3-cyano-2-(pyridin-3-ylmethyl)phenyl]carbamic acid

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl-[3-cyano-2-(pyridin-3-ylmethyl)phenyl]carbamic acid Openeye Name: [3-cyano-2-(3-pyridylmethyl)phenyl]-quinuclidin-3-yl-carbamic acid CAS Name: 1-azabicyclo[2.2.2]octan-3-yl-[3-cyano-2-(3-pyridinylmethyl)phenyl]carbamic acid IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl-[3-cyano-2-(pyridin-3-ylmethyl)phenyl]carbamic acid Traditional Name: [3-cyano-2-(3-pyridylmethyl)phenyl]-quinuclidin-3-yl-carbamic acid Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)N(C3=CC=CC(=C3CC4=CN=CC=C4)C#N)C(=O)O

Isomeric SMILES

C1CN2CCC1C(C2)N(C3=CC=CC(=C3CC4=CN=CC=C4)C#N)C(=O)O

InChI

InChI=1S/C21H22N4O2/c22-12-17-4-1-5-19(18(17)11-15-3-2-8-23-13-15)25(21(26)27)20-14-24-9-6-16(20)7-10-24/h1-5,8,13,16,20H,6-7,9-11,14H2,(H,26,27)