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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-iodophenyl)-1,3-benzoxazole-4-carboxamide Openeye Name: 2-(4-iodophenyl)-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-iodophenyl)-1,3-benzoxazole-4-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(4-iodophenyl)-1,3-benzoxazole-4-carboxamide Traditional Name: 2-(4-iodophenyl)-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide Formula: C21H20IN3O2 MolecularWeight: 473.30687

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C21H20IN3O2/c22-15-6-4-14(5-7-15)21-24-19-16(2-1-3-18(19)27-21)20(26)23-17-12-25-10-8-13(17)9-11-25/h1-7,13,17H,8-12H2,(H,23,26)