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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-[3-(1-methylpyrazol-3-yl)phenyl]-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-[3-(1-methylpyrazol-3-yl)phenyl]-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-[3-(1-methyl-3-pyrazolyl)phenyl]-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-[3-(1-methylpyrazol-3-yl)phenyl]-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-[3-(1-methylpyrazol-3-yl)phenyl]isoquinoline-3-carboxylic acid methyl ester Formula: C31H28BrN3O7 MolecularWeight: 634.47392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=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

CN1C=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/C31H28BrN3O7/c1-34-11-10-23(33-34)17-8-7-9-19(12-17)35-28(31(37)42-6)27(18-13-22(32)29(41-5)26(14-18)40-4)20-15-24(38-2)25(39-3)16-21(20)30(35)36/h7-16H,1-6H3