N-(1-azabicyclo[3.2.2]nonan-3-yl)-6-ethynyl-isoquinoline-3-carboxamide

Systemtic Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-6-ethynyl-isoquinoline-3-carboxamide Openeye Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-6-ethynyl-isoquinoline-3-carboxamide CAS Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-6-ethynyl-3-isoquinolinecarboxamide IUPAC Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-6-ethynylisoquinoline-3-carboxamide Traditional Name: N-(1-azabicyclo[3.2.2]nonan-3-yl)-6-ethynyl-isoquinoline-3-carboxamide Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=CC(=NC=C2C=C1)C(=O)NC3CC4CCN(C3)CC4

Isomeric SMILES

C#CC1=CC2=CC(=NC=C2C=C1)C(=O)NC3CC4CCN(C3)CC4

InChI

InChI=1S/C20H21N3O/c1-2-14-3-4-16-12-21-19(11-17(16)9-14)20(24)22-18-10-15-5-7-23(13-18)8-6-15/h1,3-4,9,11-12,15,18H,5-8,10,13H2,(H,22,24)