N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-isoquinoline-3-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-isoquinoline-3-carboxamide Openeye Name: 5-methoxy-N-quinuclidin-3-yl-isoquinoline-3-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxy-3-isoquinolinecarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinoline-3-carboxamide Traditional Name: 5-methoxy-N-quinuclidin-3-yl-isoquinoline-3-carboxamide Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=CN=C(C=C21)C(=O)NC3CN4CCC3CC4

Isomeric SMILES

COC1=CC=CC2=CN=C(C=C21)C(=O)NC3CN4CCC3CC4

InChI

InChI=1S/C18H21N3O2/c1-23-17-4-2-3-13-10-19-15(9-14(13)17)18(22)20-16-11-21-7-5-12(16)6-8-21/h2-4,9-10,12,16H,5-8,11H2,1H3,(H,20,22)