2-(3-bromophenyl)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-[[3,5-dimethyl-1-(o-tolyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[[3,5-dimethyl-1-(2-methylphenyl)-4-pyrazolyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-[[3,5-dimethyl-1-(o-tolyl)pyrazol-4-yl]methyl]cinchoninamide Formula: C29H25BrN4O MolecularWeight: 525.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br)C

InChI

InChI=1S/C29H25BrN4O/c1-18-9-4-7-14-28(18)34-20(3)25(19(2)33-34)17-31-29(35)24-16-27(21-10-8-11-22(30)15-21)32-26-13-6-5-12-23(24)26/h4-16H,17H2,1-3H3,(H,31,35)