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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2)O)C3=NN=C(C=C3CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1CC2)O)C3=NN=C(C=C3CC4=CC=CC=C4)C5=CN=CC=C5

InChI

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