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

Systemtic Name: 1-fluoranyl-3-octoxy-7-(5-octoxypyrimidin-2-yl)-5,6,7,8-tetrahydroisoquinoline Openeye Name: 1-fluoro-3-octoxy-7-(5-octoxypyrimidin-2-yl)-5,6,7,8-tetrahydroisoquinoline CAS Name: 1-fluoro-3-octoxy-7-(5-octoxy-2-pyrimidinyl)-5,6,7,8-tetrahydroisoquinoline IUPAC Name: 1-fluoro-3-octoxy-7-(5-octoxypyrimidin-2-yl)-5,6,7,8-tetrahydroisoquinoline Traditional Name: 1-fluoro-3-octoxy-7-(5-octoxypyrimidin-2-yl)-5,6,7,8-tetrahydroisoquinoline Formula: C29H44FN3O2 MolecularWeight: 485.676963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC(=C2CC(CCC2=C1)C3=NC=C(C=N3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=NC(=C2CC(CCC2=C1)C3=NC=C(C=N3)OCCCCCCCC)F

InChI

InChI=1S/C29H44FN3O2/c1-3-5-7-9-11-13-17-34-25-21-31-29(32-22-25)24-16-15-23-20-27(33-28(30)26(23)19-24)35-18-14-12-10-8-6-4-2/h20-22,24H,3-19H2,1-2H3