4-(azepan-1-ylcarbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)isoquinolin-1-one

Systemtic Name: 4-(azepan-1-ylcarbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)isoquinolin-1-one Openeye Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)isoquinolin-1-one CAS Name: 4-[1-azepanyl(oxo)methyl]-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-isoquinolinone IUPAC Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)isoquinolin-1-one Traditional Name: 4-(azepane-1-carbonyl)-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]isocarbostyril Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCCCCC3)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCCCCC3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H30N2O4S/c1-27-24(17-9-11-18(33-4)12-10-17)23(26(30)28-13-7-5-6-8-14-28)19-15-21(31-2)22(32-3)16-20(19)25(27)29/h9-12,15-16H,5-8,13-14H2,1-4H3