3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)isoquinolin-1-one

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)isoquinolin-1-one Openeye Name: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)isoquinolin-1-one CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)-1-isoquinolinone IUPAC Name: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)isoquinolin-1-one Traditional Name: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-4-(3,4,5-trimethoxyphenyl)isocarbostyril Formula: C28H35N3O8 MolecularWeight: 541.5928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N4CCN(CC4)CCO

Isomeric SMILES

CN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N4CCN(CC4)CCO

InChI

InChI=1S/C28H35N3O8/c1-29-25(28(34)31-9-7-30(8-10-31)11-12-32)24(17-13-22(37-4)26(39-6)23(14-17)38-5)18-15-20(35-2)21(36-3)16-19(18)27(29)33/h13-16,32H,7-12H2,1-6H3