N-(2-bromanyl-4-methyl-phenyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C27H25BrN2O2 MolecularWeight: 489.4036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C)Br

InChI

InChI=1S/C27H25BrN2O2/c1-17(2)16-32-20-8-6-7-19(14-20)26-15-22(21-9-4-5-10-24(21)29-26)27(31)30-25-12-11-18(3)13-23(25)28/h4-15,17H,16H2,1-3H3,(H,30,31)