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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(o-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=CC=C4OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC)Br

InChI

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