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

Systemtic Name: N-(3-azabicyclo[2.2.1]heptan-5-yl)-6-ethynyl-isoquinoline-3-carboxamide Openeye Name: N-(3-azabicyclo[2.2.1]heptan-5-yl)-6-ethynyl-isoquinoline-3-carboxamide CAS Name: N-(3-azabicyclo[2.2.1]heptan-5-yl)-6-ethynyl-3-isoquinolinecarboxamide IUPAC Name: N-(3-azabicyclo[2.2.1]heptan-5-yl)-6-ethynylisoquinoline-3-carboxamide Traditional Name: N-(3-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)NC3CC4CC3NC4

Isomeric SMILES

C#CC1=CC2=CC(=NC=C2C=C1)C(=O)NC3CC4CC3NC4

InChI

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