7-(5-ethynylpyridin-3-yl)-1,2,3,4,4a,5,6,8a-octahydroisoquinoline

Systemtic Name: 7-(5-ethynylpyridin-3-yl)-1,2,3,4,4a,5,6,8a-octahydroisoquinoline Openeye Name: 7-(5-ethynyl-3-pyridyl)-1,2,3,4,4a,5,6,8a-octahydroisoquinoline CAS Name: 7-(5-ethynyl-3-pyridinyl)-1,2,3,4,4a,5,6,8a-octahydroisoquinoline IUPAC Name: 7-(5-ethynylpyridin-3-yl)-1,2,3,4,4a,5,6,8a-octahydroisoquinoline Traditional Name: 7-(5-ethynyl-3-pyridyl)-1,2,3,4,4a,5,6,8a-octahydroisoquinoline Formula: C16H18N2 MolecularWeight: 238.32752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CN=C1)C2=CC3CNCCC3CC2

Isomeric SMILES

C#CC1=CC(=CN=C1)C2=CC3CNCCC3CC2

InChI

InChI=1S/C16H18N2/c1-2-12-7-15(11-18-9-12)14-4-3-13-5-6-17-10-16(13)8-14/h1,7-9,11,13,16-17H,3-6,10H2