2-(4-bromophenyl)-N-butyl-N-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-bromophenyl)-N-butyl-N-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-butyl-N-methyl-quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-butyl-N-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-butyl-N-methylquinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-butyl-N-methyl-cinchoninamide Formula: C21H21BrN2O MolecularWeight: 397.30824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCN(C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O/c1-3-4-13-24(2)21(25)18-14-20(15-9-11-16(22)12-10-15)23-19-8-6-5-7-17(18)19/h5-12,14H,3-4,13H2,1-2H3