2-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one Openeye Name: 2-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one CAS Name: 2-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one Traditional Name: 2-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one Formula: C27H28BrNO5 MolecularWeight: 526.41892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrNO5/c1-5-33-24-14-18-15-26(30)29(20-10-8-19(28)9-11-20)27(21(18)16-25(24)34-6-2)17-7-12-22(31-3)23(13-17)32-4/h7-14,16,27H,5-6,15H2,1-4H3