7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanyl-heptanenitrile

Systemtic Name: 7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanyl-heptanenitrile Openeye Name: 7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(2-pyridylsulfanyl)heptanenitrile CAS Name: 7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(2-pyridinylthio)heptanenitrile IUPAC Name: 7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylheptanenitrile Traditional Name: 7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(2-pyridylthio)enanthonitrile Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)SC4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)SC4=CC=CC=N4)OC

InChI

InChI=1S/C31H37N3O4S/c1-35-26-12-11-25(20-29(26)38-4)31(22-32,39-30-10-6-8-15-33-30)14-7-5-9-16-34-17-13-23-18-27(36-2)28(37-3)19-24(23)21-34/h6,8,10-12,15,18-20H,5,7,9,13-14,16-17,21H2,1-4H3