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

Systemtic Name: 7-[7-(2-chloroethyloxy)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)heptanenitrile Openeye Name: 7-[7-(2-chloroethoxy)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)heptanenitrile CAS Name: 7-[7-(2-chloroethoxy)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(cyclohexylthio)-2-(3,4-dimethoxyphenyl)heptanenitrile IUPAC Name: 7-[7-(2-chloroethoxy)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-cyclohexylsulfanyl-2-(3,4-dimethoxyphenyl)heptanenitrile Traditional Name: 7-[7-(2-chloroethoxy)-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(cyclohexylthio)-2-(3,4-dimethoxyphenyl)enanthonitrile Formula: C33H45ClN2O4S MolecularWeight: 601.2394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45ClN2O4S/c1-37-29-13-12-27(22-31(29)39-3)33(24-35,41-28-10-6-4-7-11-28)15-8-5-9-17-36-18-14-25-20-30(38-2)32(40-19-16-34)21-26(25)23-36/h12-13,20-22,28H,4-11,14-19,23H2,1-3H3