2-[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[2-(2,1,3-benzoxadiazole-5-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[2-(2,1,3-benzoxadiazole-5-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[2-(benzofurazan-5-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC4=NON=C4C=C3)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC4=NON=C4C=C3)CC#N)OC

InChI

InChI=1S/C20H18N4O4/c1-26-18-10-12-6-8-24(17(5-7-21)14(12)11-19(18)27-2)20(25)13-3-4-15-16(9-13)23-28-22-15/h3-4,9-11,17H,5-6,8H2,1-2H3