methyl 2-(4-aminophenyl)-1-oxidanylidene-7-(pyrazin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-1-oxidanylidene-7-(pyrazin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-1-oxo-7-(pyrazin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-1-oxo-7-(2-pyrazinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-1-oxo-7-(pyrazin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-1-keto-7-(pyrazin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C31H28N4O7 MolecularWeight: 568.57662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=NC=CN=C4)C5=CC=C(C=C5)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=NC=CN=C4)C5=CC=C(C=C5)N)C(=O)OC

InChI

InChI=1S/C31H28N4O7/c1-38-25-13-18(14-26(39-2)29(25)40-3)27-23-10-9-22(42-17-20-16-33-11-12-34-20)15-24(23)30(36)35(28(27)31(37)41-4)21-7-5-19(32)6-8-21/h5-16H,17,32H2,1-4H3