1-[(4-chloranyl-2-methoxy-phenyl)amino]-N-(3,4-dimethoxyphenyl)isoquinoline-4-carboxamide

Systemtic Name: 1-[(4-chloranyl-2-methoxy-phenyl)amino]-N-(3,4-dimethoxyphenyl)isoquinoline-4-carboxamide Openeye Name: 1-(4-chloro-2-methoxy-anilino)-N-(3,4-dimethoxyphenyl)isoquinoline-4-carboxamide CAS Name: 1-(4-chloro-2-methoxyanilino)-N-(3,4-dimethoxyphenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(4-chloro-2-methoxyanilino)-N-(3,4-dimethoxyphenyl)isoquinoline-4-carboxamide Traditional Name: 1-(4-chloro-2-methoxy-anilino)-N-(3,4-dimethoxyphenyl)isoquinoline-4-carboxamide Formula: C25H22ClN3O4 MolecularWeight: 463.91288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=C(C=C(C=C4)Cl)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=C(C=C(C=C4)Cl)OC)OC

InChI

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