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

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(p-anisidino)isoquinoline-4-carboxamide Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22ClN3O3/c1-15-12-22(23(32-3)13-21(15)26)29-25(30)20-14-27-24(19-7-5-4-6-18(19)20)28-16-8-10-17(31-2)11-9-16/h4-14H,1-3H3,(H,27,28)(H,29,30)