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

Systemtic Name: methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-1-oxidanylidene-7-(pyrazin-2-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-1-oxo-7-(pyrazin-2-ylmethoxy)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methylphenyl)-1-oxo-7-(2-pyrazinylmethoxy)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methylphenyl)-1-oxo-7-(pyrazin-2-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methyl-phenyl)-1-keto-7-(pyrazin-2-ylmethoxy)isoquinoline-3-carboxylic acid methyl ester Formula: C31H28N4O6 MolecularWeight: 552.57722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=NC=CN=C4)C5=CC=C(C=C5)N)C(=O)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=NC=CN=C4)C5=CC=C(C=C5)N)C(=O)OC)OC

InChI

InChI=1S/C31H28N4O6/c1-18-26(38-2)13-19(14-27(18)39-3)28-24-10-9-23(41-17-21-16-33-11-12-34-21)15-25(24)30(36)35(29(28)31(37)40-4)22-7-5-20(32)6-8-22/h5-16H,17,32H2,1-4H3