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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide Formula: C24H19Cl2N3O2 MolecularWeight: 452.33256

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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=C(C=CC(=C4)Cl)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NC4=C(C=CC(=C4)Cl)OC)Cl

InChI

InChI=1S/C24H19Cl2N3O2/c1-14-7-9-16(12-20(14)26)28-23-18-6-4-3-5-17(18)19(13-27-23)24(30)29-21-11-15(25)8-10-22(21)31-2/h3-13H,1-2H3,(H,27,28)(H,29,30)