4-bromanyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]benzamide Openeye Name: 4-bromo-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]benzamide CAS Name: 4-bromo-N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]benzamide IUPAC Name: 4-bromo-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]benzamide Traditional Name: 4-bromo-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]benzamide Formula: C27H25BrN2O5 MolecularWeight: 537.4018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=C(C=C4)Br)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=C(C=C4)Br)OC)OC)OC

InChI

InChI=1S/C27H25BrN2O5/c1-32-23-12-17-9-10-29-22(20(17)14-25(23)34-3)11-18-13-24(33-2)26(35-4)15-21(18)30-27(31)16-5-7-19(28)8-6-16/h5-10,12-15H,11H2,1-4H3,(H,30,31)