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

Systemtic Name: 2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one Openeye Name: 2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one CAS Name: 2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one Traditional Name: 2-(4-bromophenyl)-1-(3,4-diethoxyphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one Formula: C29H32BrNO5 MolecularWeight: 554.47208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32BrNO5/c1-5-33-24-14-9-19(15-25(24)34-6-2)29-23-18-27(36-8-4)26(35-7-3)16-20(23)17-28(32)31(29)22-12-10-21(30)11-13-22/h9-16,18,29H,5-8,17H2,1-4H3