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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-[(3-chloranyl-4-methyl-phenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(3-chloro-4-methylanilino)-4-isoquinolinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(3-chloro-4-methyl-anilino)isoquinoline-4-carboxamide Formula: C24H19BrClN3O MolecularWeight: 480.78416

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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)C)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrClN3O/c1-14-7-10-22(20(25)11-14)29-24(30)19-13-27-23(18-6-4-3-5-17(18)19)28-16-9-8-15(2)21(26)12-16/h3-13H,1-2H3,(H,27,28)(H,29,30)