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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7-(6-methoxy-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)sulfanyl-heptanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-7-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(p-tolylsulfanyl)heptanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-7-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-methylphenyl)thio]heptanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylphenyl)sulfanylheptanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-7-(7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(p-tolylthio)enanthonitrile Formula: C32H38N2O4S MolecularWeight: 546.72012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=CC(=C(C=C3C2)O)OC)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCN2CCC3=CC(=C(C=C3C2)O)OC)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C32H38N2O4S/c1-23-8-11-27(12-9-23)39-32(22-33,26-10-13-29(36-2)31(20-26)38-4)15-6-5-7-16-34-17-14-24-19-30(37-3)28(35)18-25(24)21-34/h8-13,18-20,35H,5-7,14-17,21H2,1-4H3