2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)-7-(6-methoxy-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)heptanenitrile

Systemtic Name: 2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)-7-(6-methoxy-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)heptanenitrile Openeye Name: 2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)-7-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)heptanenitrile CAS Name: 2-(cyclohexylthio)-2-(3,4-dimethoxyphenyl)-7-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)heptanenitrile IUPAC Name: 2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)-7-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)heptanenitrile Traditional Name: 2-(cyclohexylthio)-2-(3,4-dimethoxyphenyl)-7-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)enanthonitrile Formula: C31H42N2O4S MolecularWeight: 538.74118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCN2CCC3=CC(=C(C=C3C2)O)OC)(C#N)SC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCN2CCC3=CC(=C(C=C3C2)O)OC)(C#N)SC4CCCCC4)OC

InChI

InChI=1S/C31H42N2O4S/c1-35-28-13-12-25(20-30(28)37-3)31(22-32,38-26-10-6-4-7-11-26)15-8-5-9-16-33-17-14-23-19-29(36-2)27(34)18-24(23)21-33/h12-13,18-20,26,34H,4-11,14-17,21H2,1-3H3