6,7-diethoxy-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 6,7-diethoxy-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 6,7-diethoxy-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one CAS Name: 6,7-diethoxy-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 6,7-diethoxy-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 6,7-diethoxy-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Formula: C26H26FNO4 MolecularWeight: 435.487343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC)OCC

InChI

InChI=1S/C26H26FNO4/c1-4-31-23-14-18-15-25(29)28(20-10-8-19(27)9-11-20)26(22(18)16-24(23)32-5-2)17-6-12-21(30-3)13-7-17/h6-14,16,26H,4-5,15H2,1-3H3