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

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

Isomeric SMILES

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

InChI

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