2-[6,7-dimethoxy-2-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[6,7-dimethoxy-2-[(4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-2-(4-oxo-6,7-dihydro-5H-benzofuran-3-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[6,7-dimethoxy-2-[oxo-(4-oxo-6,7-dihydro-5H-benzofuran-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-2-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[2-(4-keto-6,7-dihydro-5H-benzofuran-3-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=COC4=C3C(=O)CCC4)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=COC4=C3C(=O)CCC4)CC#N)OC

InChI

InChI=1S/C22H22N2O5/c1-27-19-10-13-7-9-24(16(6-8-23)14(13)11-20(19)28-2)22(26)15-12-29-18-5-3-4-17(25)21(15)18/h10-12,16H,3-7,9H2,1-2H3