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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-[3-(2-methylpyrimidin-4-yl)phenyl]-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-[3-(2-methylpyrimidin-4-yl)phenyl]-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-[3-(2-methyl-4-pyrimidinyl)phenyl]-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-[3-(2-methylpyrimidin-4-yl)phenyl]-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-[3-(2-methylpyrimidin-4-yl)phenyl]isoquinoline-3-carboxylic acid methyl ester Formula: C32H28BrN3O7 MolecularWeight: 646.48462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)N3C(=C(C4=CC(=C(C=C4C3=O)OC)OC)C5=CC(=C(C(=C5)Br)OC)OC)C(=O)OC

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)N3C(=C(C4=CC(=C(C=C4C3=O)OC)OC)C5=CC(=C(C(=C5)Br)OC)OC)C(=O)OC

InChI

InChI=1S/C32H28BrN3O7/c1-17-34-11-10-24(35-17)18-8-7-9-20(12-18)36-29(32(38)43-6)28(19-13-23(33)30(42-5)27(14-19)41-4)21-15-25(39-2)26(40-3)16-22(21)31(36)37/h7-16H,1-6H3