6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoranyl-4-methyl-phenyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoranyl-4-methyl-phenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoro-4-methyl-phenyl)-1,4-dihydroisoquinolin-3-one CAS Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoro-4-methyl-phenyl)-1,4-dihydroisoquinolin-3-one Formula: C28H30FNO3 MolecularWeight: 447.541103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC(=C(C=C4)C)F)OCC)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC(=C(C=C4)C)F)OCC)OCC

InChI

InChI=1S/C28H30FNO3/c1-5-19-9-11-20(12-10-19)28-23-17-26(33-7-3)25(32-6-2)14-21(23)15-27(31)30(28)22-13-8-18(4)24(29)16-22/h8-14,16-17,28H,5-7,15H2,1-4H3