N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoranyl-2-phenyl-1,3-benzoxazole-4-carboxamide

Systemtic Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoranyl-2-phenyl-1,3-benzoxazole-4-carboxamide Openeye Name: 6-fluoro-2-phenyl-N-[(3S)-quinuclidin-3-yl]-1,3-benzoxazole-4-carboxamide CAS Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-2-phenyl-1,3-benzoxazole-4-carboxamide IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-2-phenyl-1,3-benzoxazole-4-carboxamide Traditional Name: 6-fluoro-2-phenyl-N-[(3S)-quinuclidin-3-yl]-1,3-benzoxazole-4-carboxamide Formula: C21H20FN3O2 MolecularWeight: 365.400803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC(=CC4=C3N=C(O4)C5=CC=CC=C5)F

Isomeric SMILES

C1CN2CCC1[C@@H](C2)NC(=O)C3=CC(=CC4=C3N=C(O4)C5=CC=CC=C5)F

InChI

InChI=1S/C21H20FN3O2/c22-15-10-16(20(26)23-17-12-25-8-6-13(17)7-9-25)19-18(11-15)27-21(24-19)14-4-2-1-3-5-14/h1-5,10-11,13,17H,6-9,12H2,(H,23,26)/t17-/m1/s1