N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-ethynylphenyl)-1,3-benzoxazole-4-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-ethynylphenyl)-1,3-benzoxazole-4-carboxamide Openeye Name: 2-(4-ethynylphenyl)-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-ethynylphenyl)-1,3-benzoxazole-4-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-ethynylphenyl)-1,3-benzoxazole-4-carboxamide Traditional Name: 2-(4-ethynylphenyl)-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3O2)C(=O)NC4CN5CCC4CC5

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3O2)C(=O)NC4CN5CCC4CC5

InChI

InChI=1S/C23H21N3O2/c1-2-15-6-8-17(9-7-15)23-25-21-18(4-3-5-20(21)28-23)22(27)24-19-14-26-12-10-16(19)11-13-26/h1,3-9,16,19H,10-14H2,(H,24,27)