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

Systemtic Name: 2-ethynyl-2-[4-(phenylmethyl)-6-pyridazin-4-yl-pyridin-3-yl]-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-(4-benzyl-6-pyridazin-4-yl-3-pyridyl)-2-ethynyl-quinuclidin-3-ol CAS Name: 2-ethynyl-2-[4-(phenylmethyl)-6-(4-pyridazinyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-(4-benzyl-6-pyridazin-4-ylpyridin-3-yl)-2-ethynyl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-(4-benzyl-6-pyridazin-4-yl-3-pyridyl)-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=CN=C(C=C3CC4=CC=CC=C4)C5=CN=NC=C5

Isomeric SMILES

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

InChI

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