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

Systemtic Name: methyl 2-(3-azanylpyridin-2-yl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(3-amino-2-pyridyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(3-amino-2-pyridinyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-aminopyridin-2-yl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(3-amino-2-pyridyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C26H24BrN3O7 MolecularWeight: 570.38866

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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)C4=C(C=CC=N4)N)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4=C(C=CC=N4)N)C(=O)OC)Br)OC

InChI

InChI=1S/C26H24BrN3O7/c1-33-18-11-14-15(12-19(18)34-2)25(31)30(24-17(28)7-6-8-29-24)22(26(32)37-5)21(14)13-9-16(27)23(36-4)20(10-13)35-3/h6-12H,28H2,1-5H3