6-bromanyl-2-(4-butylphenyl)-N-(3-methylphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)-N-(3-methylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-(m-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-(3-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-(3-methylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-(m-tolyl)cinchoninamide Formula: C27H25BrN2O MolecularWeight: 473.4042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C27H25BrN2O/c1-3-4-7-19-9-11-20(12-10-19)26-17-24(23-16-21(28)13-14-25(23)30-26)27(31)29-22-8-5-6-18(2)15-22/h5-6,8-17H,3-4,7H2,1-2H3,(H,29,31)