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

Systemtic Name: 1-fluoranyl-3-octoxy-4-(5-octoxypyridin-2-yl)-6,7-dihydro-5H-isoquinolin-8-one Openeye Name: 1-fluoro-3-octoxy-4-(5-octoxy-2-pyridyl)-6,7-dihydro-5H-isoquinolin-8-one CAS Name: 1-fluoro-3-octoxy-4-(5-octoxy-2-pyridinyl)-6,7-dihydro-5H-isoquinolin-8-one IUPAC Name: 1-fluoro-3-octoxy-4-(5-octoxypyridin-2-yl)-6,7-dihydro-5H-isoquinolin-8-one Traditional Name: 1-fluoro-3-octoxy-4-(5-octoxy-2-pyridyl)-6,7-dihydro-5H-isoquinolin-8-one Formula: C30H43FN2O3 MolecularWeight: 498.672423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43FN2O3/c1-3-5-7-9-11-13-20-35-23-18-19-25(32-22-23)27-24-16-15-17-26(34)28(24)29(31)33-30(27)36-21-14-12-10-8-6-4-2/h18-19,22H,3-17,20-21H2,1-2H3