methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(cyanomethoxy)-6-methoxy-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(cyanomethoxy)-6-methoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-7-(cyanomethoxy)-6-methoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-7-(cyanomethoxy)-6-methoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-7-(cyanomethoxy)-6-methoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-7-(cyanomethoxy)-1-keto-6-methoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C28H24BrN3O7 MolecularWeight: 594.41006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC#N)C4=CC=C(C=C4)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC#N)C4=CC=C(C=C4)N)C(=O)OC

InChI

InChI=1S/C28H24BrN3O7/c1-35-20-13-18-19(14-21(20)39-10-9-30)27(33)32(17-7-5-16(31)6-8-17)26(28(34)38-4)24(18)15-11-22(36-2)25(29)23(12-15)37-3/h5-8,11-14H,10,31H2,1-4H3