N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(p-anisidino)isoquinoline-4-carboxamide Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl

InChI

InChI=1S/C25H22ClN3O4/c1-31-16-10-8-15(9-11-16)28-24-18-7-5-4-6-17(18)19(14-27-24)25(30)29-21-12-20(26)22(32-2)13-23(21)33-3/h4-14H,1-3H3,(H,27,28)(H,29,30)