N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methyl-isoquinoline-3-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methyl-isoquinoline-3-carboxamide Openeye Name: 6-methyl-N-quinuclidin-3-yl-isoquinoline-3-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methyl-3-isoquinolinecarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylisoquinoline-3-carboxamide Traditional Name: 6-methyl-N-quinuclidin-3-yl-isoquinoline-3-carboxamide Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=NC=C2C=C1)C(=O)NC3CN4CCC3CC4

Isomeric SMILES

CC1=CC2=CC(=NC=C2C=C1)C(=O)NC3CN4CCC3CC4

InChI

InChI=1S/C18H21N3O/c1-12-2-3-14-10-19-16(9-15(14)8-12)18(22)20-17-11-21-6-4-13(17)5-7-21/h2-3,8-10,13,17H,4-7,11H2,1H3,(H,20,22)