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

Systemtic Name: 6-bromanyl-N-(4-butylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(4-butylphenyl)-2-(m-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(4-butylphenyl)-2-(3-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(4-butylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(4-butylphenyl)-2-(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)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C

InChI

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