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

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-4-nitro-benzamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-4-nitro-benzamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-4-nitrobenzamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-4-nitrobenzamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-4-nitro-benzamide Formula: C27H25N3O7 MolecularWeight: 503.5033

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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)[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C27H25N3O7/c1-34-23-12-17-9-10-28-22(20(17)14-25(23)36-3)11-18-13-24(35-2)26(37-4)15-21(18)29-27(31)16-5-7-19(8-6-16)30(32)33/h5-10,12-15H,11H2,1-4H3,(H,29,31)