2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-methyl-pentanenitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-methyl-pentanenitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-methyl-pentanenitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-methylpentanenitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-methylpentanenitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-methyl-valeronitrile Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1CC2=CC(=C(C=C2CN1C)OC)OC)(C#N)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(CCCC1CC2=CC(=C(C=C2CN1C)OC)OC)(C#N)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C26H32N2O4/c1-26(17-27,25-16-31-21-9-5-6-10-22(21)32-25)11-7-8-20-12-18-13-23(29-3)24(30-4)14-19(18)15-28(20)2/h5-6,9-10,13-14,20,25H,7-8,11-12,15-16H2,1-4H3