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

Systemtic Name: 2-ethynyl-2-[2-(phenylmethyl)-6-pyridazin-3-yl-pyridin-3-yl]-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-(2-benzyl-6-pyridazin-3-yl-3-pyridyl)-2-ethynyl-quinuclidin-3-ol CAS Name: 2-ethynyl-2-[2-(phenylmethyl)-6-(3-pyridazinyl)-3-pyridinyl]-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-(2-benzyl-6-pyridazin-3-ylpyridin-3-yl)-2-ethynyl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-(2-benzyl-6-pyridazin-3-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=C(N=C(C=C3)C4=NN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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