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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-phenoxyphenyl)-1,3-benzoxazole-4-carboxamide Openeye Name: 2-(4-phenoxyphenyl)-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-phenoxyphenyl)-1,3-benzoxazole-4-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-phenoxyphenyl)-1,3-benzoxazole-4-carboxamide Traditional Name: 2-(4-phenoxyphenyl)-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=C4C(=CC=C3)OC(=N4)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=C4C(=CC=C3)OC(=N4)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C27H25N3O3/c31-26(28-23-17-30-15-13-18(23)14-16-30)22-7-4-8-24-25(22)29-27(33-24)19-9-11-21(12-10-19)32-20-5-2-1-3-6-20/h1-12,18,23H,13-17H2,(H,28,31)