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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-6-methoxy-1-oxidanylidene-7-(pyridin-4-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-6-methoxy-1-oxo-7-(4-pyridylmethoxy)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-6-methoxy-1-oxo-7-(pyridin-4-ylmethoxy)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-6-methoxy-1-oxo-7-(pyridin-4-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-6-methoxy-7-(4-pyridylmethoxy)isoquinoline-3-carboxylic acid methyl ester Formula: C32H28BrN3O7 MolecularWeight: 646.48462

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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)OCC4=CC=NC=C4)C5=CC=C(C=C5)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC4=CC=NC=C4)C5=CC=C(C=C5)N)C(=O)OC

InChI

InChI=1S/C32H28BrN3O7/c1-39-24-15-22-23(16-25(24)43-17-18-9-11-35-12-10-18)31(37)36(21-7-5-20(34)6-8-21)30(32(38)42-4)28(22)19-13-26(40-2)29(33)27(14-19)41-3/h5-16H,17,34H2,1-4H3