1,8,8-tris(fluoranyl)-3-octoxy-4-(5-octoxypyrimidin-2-yl)-6,7-dihydro-5H-isoquinoline

Systemtic Name: 1,8,8-tris(fluoranyl)-3-octoxy-4-(5-octoxypyrimidin-2-yl)-6,7-dihydro-5H-isoquinoline Openeye Name: 1,8,8-trifluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)-6,7-dihydro-5H-isoquinoline CAS Name: 1,8,8-trifluoro-3-octoxy-4-(5-octoxy-2-pyrimidinyl)-6,7-dihydro-5H-isoquinoline IUPAC Name: 1,8,8-trifluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)-6,7-dihydro-5H-isoquinoline Traditional Name: 1,8,8-trifluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)-6,7-dihydro-5H-isoquinoline Formula: C29H42F3N3O2 MolecularWeight: 521.65789

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=C3CCCC(C3=C(N=C2OCCCCCCCC)F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=C3CCCC(C3=C(N=C2OCCCCCCCC)F)(F)F

InChI

InChI=1S/C29H42F3N3O2/c1-3-5-7-9-11-13-18-36-22-20-33-27(34-21-22)24-23-16-15-17-29(31,32)25(23)26(30)35-28(24)37-19-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3