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

Systemtic Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(4-fluorophenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(4-fluorophenyl)-1,4-dihydroisoquinolin-3-one CAS Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(4-fluorophenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(4-fluorophenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(4-fluorophenyl)-1,4-dihydroisoquinolin-3-one Formula: C25H23ClFNO3 MolecularWeight: 439.906423

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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)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClFNO3/c1-3-30-22-13-17-14-24(29)28(20-11-9-19(27)10-12-20)25(16-5-7-18(26)8-6-16)21(17)15-23(22)31-4-2/h5-13,15,25H,3-4,14H2,1-2H3