N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-ethynyl-isoquinoline-3-carboxamide

Systemtic Name: N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-ethynyl-isoquinoline-3-carboxamide Openeye Name: N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-ethynyl-isoquinoline-3-carboxamide CAS Name: N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-ethynyl-3-isoquinolinecarboxamide IUPAC Name: N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-ethynylisoquinoline-3-carboxamide Traditional Name: N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-ethynyl-isoquinoline-3-carboxamide Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=CC(=NC=C2C=C1)C(=O)NC3CC4CC3CN4

Isomeric SMILES

C#CC1=CC2=CC(=NC=C2C=C1)C(=O)NC3CC4CC3CN4

InChI

InChI=1S/C18H17N3O/c1-2-11-3-4-12-9-20-17(7-13(12)5-11)18(22)21-16-8-15-6-14(16)10-19-15/h1,3-5,7,9,14-16,19H,6,8,10H2,(H,21,22)