2-ethynyl-2-[2-(phenylmethyl)-6-pyridazin-4-yl-pyridin-3-yl]-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-2-[2-(phenylmethyl)-6-pyridazin-4-yl-pyridin-3-yl]-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-(2-benzyl-6-pyridazin-4-yl-3-pyridyl)-2-ethynyl-quinuclidin-3-ol CAS Name: 2-ethynyl-2-[2-(phenylmethyl)-6-(4-pyridazinyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-(2-benzyl-6-pyridazin-4-ylpyridin-3-yl)-2-ethynyl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-(2-benzyl-6-pyridazin-4-yl-3-pyridyl)-2-ethynyl-quinuclidin-3-ol Formula: C25H24N4O MolecularWeight: 396.48426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2)O)C3=C(N=C(C=C3)C4=CN=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1CC2)O)C3=C(N=C(C=C3)C4=CN=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O/c1-2-25(24(30)19-11-14-29(25)15-12-19)21-8-9-22(20-10-13-26-27-17-20)28-23(21)16-18-6-4-3-5-7-18/h1,3-10,13,17,19,24,30H,11-12,14-16H2