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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(isoquinolin-1-ylmethoxy)-6-methoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-7-(1-isoquinolylmethoxy)-6-methoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-7-(1-isoquinolinylmethoxy)-6-methoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-7-(isoquinolin-1-ylmethoxy)-6-methoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-7-(1-isoquinolylmethoxy)-1-keto-6-methoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C36H30BrN3O7 MolecularWeight: 696.5433

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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=NC=CC5=CC=CC=C54)C6=CC=C(C=C6)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC4=NC=CC5=CC=CC=C54)C6=CC=C(C=C6)N)C(=O)OC

InChI

InChI=1S/C36H30BrN3O7/c1-43-28-17-25-26(18-29(28)47-19-27-24-8-6-5-7-20(24)13-14-39-27)35(41)40(23-11-9-22(38)10-12-23)34(36(42)46-4)32(25)21-15-30(44-2)33(37)31(16-21)45-3/h5-18H,19,38H2,1-4H3