1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC(=O)CC2=C1)CC3=CC(=C(C=C3Br)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(NC(=O)CC2=C1)CC3=CC(=C(C=C3Br)OC)OC)OC

InChI

InChI=1S/C20H22BrNO5/c1-24-16-6-11-8-20(23)22-15(13(11)9-18(16)26-3)5-12-7-17(25-2)19(27-4)10-14(12)21/h6-7,9-10,15H,5,8H2,1-4H3,(H,22,23)