2-ethynyl-2-[4-(phenylmethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-2-[4-(phenylmethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-[4-benzyl-2-(4-pyridyl)thiazol-5-yl]-2-ethynyl-quinuclidin-3-ol CAS Name: 2-ethynyl-2-[4-(phenylmethyl)-2-pyridin-4-yl-5-thiazolyl]-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-(4-benzyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-2-ethynyl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-[4-benzyl-2-(4-pyridyl)thiazol-5-yl]-2-ethynyl-quinuclidin-3-ol Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2)O)C3=C(N=C(S3)C4=CC=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1CC2)O)C3=C(N=C(S3)C4=CC=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N3OS/c1-2-24(21(28)18-10-14-27(24)15-11-18)22-20(16-17-6-4-3-5-7-17)26-23(29-22)19-8-12-25-13-9-19/h1,3-9,12-13,18,21,28H,10-11,14-16H2