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

Systemtic Name: 2-ethynyl-2-(phenylmethyl)-6-pyrazol-1-yl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-pyrazol-1-yl-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-2-(phenylmethyl)-6-(1-pyrazolyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-pyrazol-1-yl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-pyrazol-1-yl-3-(3-pyridyl)quinuclidin-3-ol Formula: C24H24N4O MolecularWeight: 384.47356

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)N3C=CC=N3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)N3C=CC=N3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N4O/c1-2-23(17-19-8-4-3-5-9-19)24(29,21-10-6-12-25-18-21)20-11-15-27(23)22(16-20)28-14-7-13-26-28/h1,3-10,12-14,18,20,22,29H,11,15-17H2