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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-1-oxidanylidene-7-(pyridin-3-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-1-oxo-7-(3-pyridylmethoxy)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-(3-pyridinylmethoxy)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-(pyridin-3-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-7-(3-pyridylmethoxy)isoquinoline-3-carboxylic acid methyl ester Formula: C31H26BrN3O6 MolecularWeight: 616.45864

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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=CN=CC=C4)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=CN=CC=C4)C5=CC=C(C=C5)N)C(=O)OC

InChI

InChI=1S/C31H26BrN3O6/c1-38-25-13-19(14-26(39-2)28(25)32)27-23-11-10-22(41-17-18-5-4-12-34-16-18)15-24(23)30(36)35(29(27)31(37)40-3)21-8-6-20(33)7-9-21/h4-16H,17,33H2,1-3H3