2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dihydroisoquinolin-3-one Openeye Name: 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dihydroisoquinolin-3-one CAS Name: 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dihydroisoquinolin-3-one Traditional Name: 2-(4-bromophenyl)-6,7-dimethoxy-1-p-phenetyl-1,4-dihydroisoquinolin-3-one Formula: C25H24BrNO4 MolecularWeight: 482.36636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)Br)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)Br)OC)OC

InChI

InChI=1S/C25H24BrNO4/c1-4-31-20-11-5-16(6-12-20)25-21-15-23(30-3)22(29-2)13-17(21)14-24(28)27(25)19-9-7-18(26)8-10-19/h5-13,15,25H,4,14H2,1-3H3