N-(4-bromanyl-2,3-dimethyl-phenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2,3-dimethyl-phenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(4-bromo-2,3-dimethyl-phenyl)-6,8-dimethyl-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-(4-bromo-2,3-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-2,3-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(4-bromo-2,3-dimethyl-phenyl)-6,8-dimethyl-2-(p-tolyl)cinchoninamide Formula: C27H25BrN2O MolecularWeight: 473.4042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C(=C(C=C4)Br)C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)NC4=C(C(=C(C=C4)Br)C)C)C)C

InChI

InChI=1S/C27H25BrN2O/c1-15-6-8-20(9-7-15)25-14-22(21-13-16(2)12-17(3)26(21)29-25)27(31)30-24-11-10-23(28)18(4)19(24)5/h6-14H,1-5H3,(H,30,31)