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

Systemtic Name: 2-ethynyl-3-oxidanyl-3-(phenylmethyl)-2-pyridin-2-yl-N-pyrrolidin-1-yl-1-azabicyclo[2.2.2]octane-5-carboxamide Openeye Name: 5-benzyl-6-ethynyl-5-hydroxy-6-(2-pyridyl)-N-pyrrolidin-1-yl-quinuclidine-3-carboxamide CAS Name: 2-ethynyl-3-hydroxy-3-(phenylmethyl)-2-(2-pyridinyl)-N-(1-pyrrolidinyl)-1-azabicyclo[2.2.2]octane-5-carboxamide IUPAC Name: 3-benzyl-2-ethynyl-3-hydroxy-2-pyridin-2-yl-N-pyrrolidin-1-yl-1-azabicyclo[2.2.2]octane-5-carboxamide Traditional Name: 5-benzyl-6-ethynyl-5-hydroxy-6-(2-pyridyl)-N-pyrrolidino-quinuclidine-3-carboxamide Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2C(=O)NN3CCCC3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

Isomeric SMILES

C#CC1(C(C2CCN1CC2C(=O)NN3CCCC3)(CC4=CC=CC=C4)O)C5=CC=CC=N5

InChI

InChI=1S/C26H30N4O2/c1-2-25(23-12-6-7-14-27-23)26(32,18-20-10-4-3-5-11-20)22-13-17-29(25)19-21(22)24(31)28-30-15-8-9-16-30/h1,3-7,10-12,14,21-22,32H,8-9,13,15-19H2,(H,28,31)