2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanenitrile

Systemtic Name: 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanenitrile Openeye Name: 2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile CAS Name: 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile IUPAC Name: 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile Traditional Name: 2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC#N)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CC#N)C3=CC=CS3)OC

InChI

InChI=1S/C17H18N2O2S/c1-20-14-10-12-5-7-19(8-6-18)17(16-4-3-9-22-16)13(12)11-15(14)21-2/h3-4,9-11,17H,5,7-8H2,1-2H3