2-ethynyl-3-oxidanyl-N-phenyl-3-(phenylmethyl)-2-pyridin-2-yl-1-azabicyclo[2.2.2]octane-5-carboxamide

Systemtic Name: 2-ethynyl-3-oxidanyl-N-phenyl-3-(phenylmethyl)-2-pyridin-2-yl-1-azabicyclo[2.2.2]octane-5-carboxamide Openeye Name: 5-benzyl-6-ethynyl-5-hydroxy-N-phenyl-6-(2-pyridyl)quinuclidine-3-carboxamide CAS Name: 2-ethynyl-3-hydroxy-N-phenyl-3-(phenylmethyl)-2-(2-pyridinyl)-1-azabicyclo[2.2.2]octane-5-carboxamide IUPAC Name: 3-benzyl-2-ethynyl-3-hydroxy-N-phenyl-2-pyridin-2-yl-1-azabicyclo[2.2.2]octane-5-carboxamide Traditional Name: 5-benzyl-6-ethynyl-5-hydroxy-N-phenyl-6-(2-pyridyl)quinuclidine-3-carboxamide Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2C(=O)NC3=CC=CC=C3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

Isomeric SMILES

C#CC1(C(C2CCN1CC2C(=O)NC3=CC=CC=C3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

InChI

InChI=1S/C28H27N3O2/c1-2-27(25-15-9-10-17-29-25)28(33,19-21-11-5-3-6-12-21)24-16-18-31(27)20-23(24)26(32)30-22-13-7-4-8-14-22/h1,3-15,17,23-24,33H,16,18-20H2,(H,30,32)