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

Systemtic Name: N-cyclohexyl-2-ethynyl-3-oxidanyl-3-(phenylmethyl)-2-pyridin-2-yl-1-azabicyclo[2.2.2]octane-5-carboxamide Openeye Name: 5-benzyl-N-cyclohexyl-6-ethynyl-5-hydroxy-6-(2-pyridyl)quinuclidine-3-carboxamide CAS Name: N-cyclohexyl-2-ethynyl-3-hydroxy-3-(phenylmethyl)-2-(2-pyridinyl)-1-azabicyclo[2.2.2]octane-5-carboxamide IUPAC Name: 3-benzyl-N-cyclohexyl-2-ethynyl-3-hydroxy-2-pyridin-2-yl-1-azabicyclo[2.2.2]octane-5-carboxamide Traditional Name: 5-benzyl-N-cyclohexyl-6-ethynyl-5-hydroxy-6-(2-pyridyl)quinuclidine-3-carboxamide Formula: C28H33N3O2 MolecularWeight: 443.58052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2C(=O)NC3CCCCC3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

Isomeric SMILES

C#CC1(C(C2CCN1CC2C(=O)NC3CCCCC3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

InChI

InChI=1S/C28H33N3O2/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/h1,3,5-6,9-12,15,17,22-24,33H,4,7-8,13-14,16,18-20H2,(H,30,32)