5-nitro-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-nitro-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-nitro-N-[2-(3-pyridylmethyl)quinuclidin-3-yl]benzofuran-2-carboxamide CAS Name: 5-nitro-N-[2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-2-benzofurancarboxamide IUPAC Name: 5-nitro-N-[2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide Traditional Name: 5-nitro-N-[2-(3-pyridylmethyl)quinuclidin-3-yl]coumarilamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2CC3=CN=CC=C3)NC(=O)C4=CC5=C(O4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(C2CC3=CN=CC=C3)NC(=O)C4=CC5=C(O4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c27-22(20-12-16-11-17(26(28)29)3-4-19(16)30-20)24-21-15-5-8-25(9-6-15)18(21)10-14-2-1-7-23-13-14/h1-4,7,11-13,15,18,21H,5-6,8-10H2,(H,24,27)