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

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-fluorobenzamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-fluoro-benzamide Formula: C27H25FN2O5 MolecularWeight: 476.496203

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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=CC=C4F)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=CC=C4F)OC)OC)OC

InChI

InChI=1S/C27H25FN2O5/c1-32-23-12-16-9-10-29-22(19(16)14-25(23)34-3)11-17-13-24(33-2)26(35-4)15-21(17)30-27(31)18-7-5-6-8-20(18)28/h5-10,12-15H,11H2,1-4H3,(H,30,31)