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

Systemtic Name: ethyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-6-ethoxy-1-oxidanylidene-7-(pyridin-4-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: ethyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-6-ethoxy-1-oxo-7-(4-pyridylmethoxy)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-6-ethoxy-1-oxo-7-(pyridin-4-ylmethoxy)-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-6-ethoxy-1-oxo-7-(pyridin-4-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-6-ethoxy-1-keto-7-(4-pyridylmethoxy)isoquinoline-3-carboxylic acid ethyl ester Formula: C34H32BrN3O7 MolecularWeight: 674.53778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(N(C2=O)C3=CC=C(C=C3)N)C(=O)OCC)C4=CC(=C(C(=C4)OC)Br)OC)OCC5=CC=NC=C5

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(N(C2=O)C3=CC=C(C=C3)N)C(=O)OCC)C4=CC(=C(C(=C4)OC)Br)OC)OCC5=CC=NC=C5

InChI

InChI=1S/C34H32BrN3O7/c1-5-43-26-17-24-25(18-27(26)45-19-20-11-13-37-14-12-20)33(39)38(23-9-7-22(36)8-10-23)32(34(40)44-6-2)30(24)21-15-28(41-3)31(35)29(16-21)42-4/h7-18H,5-6,19,36H2,1-4H3