methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2-[4-(2-hydroxyethyl)piperazino]-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C27H32BrN3O8 MolecularWeight: 606.46228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)N4CCN(CC4)CCO)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)N4CCN(CC4)CCO)C(=O)OC)Br)OC

InChI

InChI=1S/C27H32BrN3O8/c1-35-20-14-17-18(15-21(20)36-2)26(33)31(30-8-6-29(7-9-30)10-11-32)24(27(34)39-5)23(17)16-12-19(28)25(38-4)22(13-16)37-3/h12-15,32H,6-11H2,1-5H3