N-(2-bromanyl-4-methyl-phenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-[(4-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(4-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(p-anisidino)isoquinoline-4-carboxamide Formula: C24H20BrN3O2 MolecularWeight: 462.3385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC)Br

InChI

InChI=1S/C24H20BrN3O2/c1-15-7-12-22(21(25)13-15)28-24(29)20-14-26-23(19-6-4-3-5-18(19)20)27-16-8-10-17(30-2)11-9-16/h3-14H,1-2H3,(H,26,27)(H,28,29)