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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-1-oxidanylidene-7-(pyridin-4-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-1-oxo-7-(4-pyridylmethoxy)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-(pyridin-4-ylmethoxy)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-(pyridin-4-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-7-(4-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=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=C2C=CC(=C3)OCC4=CC=NC=C4)C5=CC=C(C=C5)N)C(=O)OC

InChI

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