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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-chloranyl-3,5-dimethoxy-phenyl)-1-oxidanylidene-7-(pyrazin-2-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(4-chloro-3,5-dimethoxy-phenyl)-1-oxo-7-(pyrazin-2-ylmethoxy)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(4-chloro-3,5-dimethoxyphenyl)-1-oxo-7-(2-pyrazinylmethoxy)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-chloro-3,5-dimethoxyphenyl)-1-oxo-7-(pyrazin-2-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(4-chloro-3,5-dimethoxy-phenyl)-1-keto-7-(pyrazin-2-ylmethoxy)isoquinoline-3-carboxylic acid methyl ester Formula: C30H25ClN4O6 MolecularWeight: 572.9957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Cl)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(=C1Cl)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/C30H25ClN4O6/c1-38-24-12-17(13-25(39-2)27(24)31)26-22-9-8-21(41-16-19-15-33-10-11-34-19)14-23(22)29(36)35(28(26)30(37)40-3)20-6-4-18(32)5-7-20/h4-15H,16,32H2,1-3H3