2-methyl-4-(4-methylsulfanylphenyl)-7-[5-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-methyl-4-(4-methylsulfanylphenyl)-7-[5-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methyl-4-(4-methylsulfanylphenyl)-7-[[5-(1-piperidylmethyl)-2-pyridyl]oxy]-3,4-dihydro-1H-isoquinoline CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-7-[[5-(1-piperidinylmethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methyl-4-(4-methylsulfanylphenyl)-7-[5-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-methyl-4-[4-(methylthio)phenyl]-7-[[5-(piperidinomethyl)-2-pyridyl]oxy]-3,4-dihydro-1H-isoquinoline Formula: C28H33N3OS MolecularWeight: 459.64612

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=C(C=C2)OC3=NC=C(C=C3)CN4CCCCC4)C5=CC=C(C=C5)SC

Isomeric SMILES

CN1CC(C2=C(C1)C=C(C=C2)OC3=NC=C(C=C3)CN4CCCCC4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C28H33N3OS/c1-30-19-23-16-24(9-12-26(23)27(20-30)22-7-10-25(33-2)11-8-22)32-28-13-6-21(17-29-28)18-31-14-4-3-5-15-31/h6-13,16-17,27H,3-5,14-15,18-20H2,1-2H3