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

Systemtic Name: methyl 2-(4-aminophenyl)-7-[(3-aminophenyl)methoxy]-4-(4-bromanyl-3,5-dimethoxy-phenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-7-[(3-aminophenyl)methoxy]-4-(4-bromo-3,5-dimethoxy-phenyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-7-[(3-aminophenyl)methoxy]-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-7-[(3-aminophenyl)methoxy]-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 7-(3-aminobenzyl)oxy-2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-isoquinoline-3-carboxylic acid methyl ester Formula: C32H28BrN3O6 MolecularWeight: 630.48522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC(=CC=C4)N)C5=CC=C(C=C5)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC(=CC=C4)N)C5=CC=C(C=C5)N)C(=O)OC

InChI

InChI=1S/C32H28BrN3O6/c1-39-26-14-19(15-27(40-2)29(26)33)28-24-12-11-23(42-17-18-5-4-6-21(35)13-18)16-25(24)31(37)36(30(28)32(38)41-3)22-9-7-20(34)8-10-22/h4-16H,17,34-35H2,1-3H3