methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-(2-phenylmethoxycarbonylpiperazin-1-yl)isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-(2-phenylmethoxycarbonylpiperazin-1-yl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(2-benzyloxycarbonylpiperazin-1-yl)-4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-(2-phenylmethoxycarbonyl-1-piperazinyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-(2-phenylmethoxycarbonylpiperazin-1-yl)isoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2-(2-carbobenzoxypiperazino)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C33H34BrN3O9 MolecularWeight: 696.54176

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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)N4CCNCC4C(=O)OCC5=CC=CC=C5)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)N4CCNCC4C(=O)OCC5=CC=CC=C5)C(=O)OC)Br)OC

InChI

InChI=1S/C33H34BrN3O9/c1-41-25-15-21-22(16-26(25)42-2)31(38)37(36-12-11-35-17-24(36)32(39)46-18-19-9-7-6-8-10-19)29(33(40)45-5)28(21)20-13-23(34)30(44-4)27(14-20)43-3/h6-10,13-16,24,35H,11-12,17-18H2,1-5H3