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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynyl-isoquinoline-3-carboxamide Openeye Name: 6-ethynyl-N-quinuclidin-3-yl-isoquinoline-3-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynyl-3-isoquinolinecarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynylisoquinoline-3-carboxamide Traditional Name: 6-ethynyl-N-quinuclidin-3-yl-isoquinoline-3-carboxamide Formula: C19H19N3O MolecularWeight: 305.37366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O/c1-2-13-3-4-15-11-20-17(10-16(15)9-13)19(23)21-18-12-22-7-5-14(18)6-8-22/h1,3-4,9-11,14,18H,5-8,12H2,(H,21,23)