N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromanyl-2-phenyl-1,3-benzoxazole-4-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromanyl-2-phenyl-1,3-benzoxazole-4-carboxamide Openeye Name: 7-bromo-2-phenyl-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-2-phenyl-1,3-benzoxazole-4-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-2-phenyl-1,3-benzoxazole-4-carboxamide Traditional Name: 7-bromo-2-phenyl-N-quinuclidin-3-yl-1,3-benzoxazole-4-carboxamide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O2/c22-16-7-6-15(20(26)23-17-12-25-10-8-13(17)9-11-25)18-19(16)27-21(24-18)14-4-2-1-3-5-14/h1-7,13,17H,8-12H2,(H,23,26)