N-[(3R)-1-azabicyclo[3.2.2]nonan-3-yl]-5-ethynyl-isoquinoline-3-carboxamide

Systemtic Name: N-[(3R)-1-azabicyclo[3.2.2]nonan-3-yl]-5-ethynyl-isoquinoline-3-carboxamide Openeye Name: N-[(3R)-1-azabicyclo[3.2.2]nonan-3-yl]-5-ethynyl-isoquinoline-3-carboxamide CAS Name: N-[(3R)-1-azabicyclo[3.2.2]nonan-3-yl]-5-ethynyl-3-isoquinolinecarboxamide IUPAC Name: N-[(3R)-1-azabicyclo[3.2.2]nonan-3-yl]-5-ethynylisoquinoline-3-carboxamide Traditional Name: N-[(3R)-1-azabicyclo[3.2.2]nonan-3-yl]-5-ethynyl-isoquinoline-3-carboxamide Formula: C20H21N3O MolecularWeight: 319.40024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C#CC1=C2C=C(N=CC2=CC=C1)C(=O)N[C@@H]3CC4CCN(C3)CC4

InChI

InChI=1S/C20H21N3O/c1-2-15-4-3-5-16-12-21-19(11-18(15)16)20(24)22-17-10-14-6-8-23(13-17)9-7-14/h1,3-5,11-12,14,17H,6-10,13H2,(H,22,24)/t17-/m1/s1