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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CN=C1)C2=CCCC3C2CNCC3

Isomeric SMILES

C#CC1=CC(=CN=C1)C2=CCCC3C2CNCC3

InChI

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