1-fluoranyl-3-octoxy-7-(5-octoxypyridin-2-yl)-5,6,7,8-tetrahydroisoquinoline

Systemtic Name: 1-fluoranyl-3-octoxy-7-(5-octoxypyridin-2-yl)-5,6,7,8-tetrahydroisoquinoline Openeye Name: 1-fluoro-3-octoxy-7-(5-octoxy-2-pyridyl)-5,6,7,8-tetrahydroisoquinoline CAS Name: 1-fluoro-3-octoxy-7-(5-octoxy-2-pyridinyl)-5,6,7,8-tetrahydroisoquinoline IUPAC Name: 1-fluoro-3-octoxy-7-(5-octoxypyridin-2-yl)-5,6,7,8-tetrahydroisoquinoline Traditional Name: 1-fluoro-3-octoxy-7-(5-octoxy-2-pyridyl)-5,6,7,8-tetrahydroisoquinoline Formula: C30H45FN2O2 MolecularWeight: 484.688903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(C=C1)C2CCC3=CC(=NC(=C3C2)F)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(C=C1)C2CCC3=CC(=NC(=C3C2)F)OCCCCCCCC

InChI

InChI=1S/C30H45FN2O2/c1-3-5-7-9-11-13-19-34-26-17-18-28(32-23-26)25-16-15-24-22-29(33-30(31)27(24)21-25)35-20-14-12-10-8-6-4-2/h17-18,22-23,25H,3-16,19-21H2,1-2H3