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

Systemtic Name: 1-fluoranyl-3-octoxy-4-(5-octoxypyrimidin-2-yl)-6,7-dihydro-5H-isoquinolin-8-one Openeye Name: 1-fluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)-6,7-dihydro-5H-isoquinolin-8-one CAS Name: 1-fluoro-3-octoxy-4-(5-octoxy-2-pyrimidinyl)-6,7-dihydro-5H-isoquinolin-8-one IUPAC Name: 1-fluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)-6,7-dihydro-5H-isoquinolin-8-one Traditional Name: 1-fluoro-3-octoxy-4-(5-octoxypyrimidin-2-yl)-6,7-dihydro-5H-isoquinolin-8-one Formula: C29H42FN3O3 MolecularWeight: 499.660483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42FN3O3/c1-3-5-7-9-11-13-18-35-22-20-31-28(32-21-22)26-23-16-15-17-24(34)25(23)27(30)33-29(26)36-19-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3