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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-benzylpiperazin-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-[4-(phenylmethyl)-1-piperazinyl]-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylpiperazin-1-yl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(4-benzylpiperazino)-4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C32H34BrN3O7 MolecularWeight: 652.53226

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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)CC5=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)N4CCN(CC4)CC5=CC=CC=C5)C(=O)OC)Br)OC

InChI

InChI=1S/C32H34BrN3O7/c1-39-25-17-22-23(18-26(25)40-2)31(37)36(35-13-11-34(12-14-35)19-20-9-7-6-8-10-20)29(32(38)43-5)28(22)21-15-24(33)30(42-4)27(16-21)41-3/h6-10,15-18H,11-14,19H2,1-5H3