(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-oxidanyl-3-piperidin-1-yl-propyl)sulfanyl-ethanenitrile

Systemtic Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-oxidanyl-3-piperidin-1-yl-propyl)sulfanyl-ethanenitrile Openeye Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[2-hydroxy-3-(1-piperidyl)propyl]sulfanyl-acetonitrile CAS Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[[2-hydroxy-3-(1-piperidinyl)propyl]thio]acetonitrile IUPAC Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-(2-hydroxy-3-piperidin-1-ylpropyl)sulfanylacetonitrile Traditional Name: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-2-[(2-hydroxy-3-piperidino-propyl)thio]acetonitrile Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCNC2=C(C#N)SCC(CN3CCCCC3)O)OC

Isomeric SMILES

COC1=C(C=C\2C(=C1)CCN/C2=C(/C#N)\SCC(CN3CCCCC3)O)OC

InChI

InChI=1S/C21H29N3O3S/c1-26-18-10-15-6-7-23-21(17(15)11-19(18)27-2)20(12-22)28-14-16(25)13-24-8-4-3-5-9-24/h10-11,16,23,25H,3-9,13-14H2,1-2H3/b21-20-