N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide Formula: C25H21Cl2N3O3 MolecularWeight: 482.35854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4OC)OC)Cl)Cl

InChI

InChI=1S/C25H21Cl2N3O3/c1-14-8-9-15(10-19(14)26)29-24-17-7-5-4-6-16(17)18(13-28-24)25(31)30-21-11-20(27)22(32-2)12-23(21)33-3/h4-13H,1-3H3,(H,28,29)(H,30,31)