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

Systemtic Name: 3-[2-ethynyl-3-oxidanyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl]propanenitrile Openeye Name: 3-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]propanenitrile CAS Name: 3-[2-ethynyl-3-hydroxy-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-6-yl]propanenitrile IUPAC Name: 3-(2-benzyl-2-ethynyl-3-hydroxy-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-6-yl)propanenitrile Traditional Name: 3-[6-benzyl-6-ethynyl-5-hydroxy-5-(3-pyridyl)quinuclidin-2-yl]propionitrile Formula: C24H25N3O MolecularWeight: 371.4748

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)CCC#N)(C3=CN=CC=C3)O)CC4=CC=CC=C4

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)CCC#N)(C3=CN=CC=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O/c1-2-23(17-19-8-4-3-5-9-19)24(28,21-10-7-14-26-18-21)20-12-15-27(23)22(16-20)11-6-13-25/h1,3-5,7-10,14,18,20,22,28H,6,11-12,15-17H2