N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-ethynyl-isoquinoline-3-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-ethynyl-isoquinoline-3-carboxamide Openeye Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-ethynyl-isoquinoline-3-carboxamide CAS Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-ethynyl-3-isoquinolinecarboxamide IUPAC Name: N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-ethynylisoquinoline-3-carboxamide Traditional Name: N-(1-azabicyclo[2.2.1]heptan-3-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)NC3CN4CCC3C4

Isomeric SMILES

C#CC1=CC2=CC(=NC=C2C=C1)C(=O)NC3CN4CCC3C4

InChI

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