methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-(2-piperazin-1-ylethyl)isoquinoline-3-carboxylate dihydrochloride

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-(2-piperazin-1-ylethyl)isoquinoline-3-carboxylate dihydrochloride Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-2-(2-piperazin-1-ylethyl)isoquinoline-3-carboxylate dihydrochloride CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-[2-(1-piperazinyl)ethyl]-3-isoquinolinecarboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-(2-piperazin-1-ylethyl)isoquinoline-3-carboxylate dihydrochloride Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-(2-piperazinoethyl)isoquinoline-3-carboxylic acid methyl ester dihydrochloride Formula: C27H34BrCl2N3O7 MolecularWeight: 663.38476

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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)CCN4CCNCC4)C(=O)OC)Br)OC.Cl.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCN4CCNCC4)C(=O)OC)Br)OC.Cl.Cl

InChI

InChI=1S/C27H32BrN3O7.2ClH/c1-34-20-14-17-18(15-21(20)35-2)26(32)31(11-10-30-8-6-29-7-9-30)24(27(33)38-5)23(17)16-12-19(28)25(37-4)22(13-16)36-3;;/h12-15,29H,6-11H2,1-5H3;2*1H