2-(3-bromophenyl)-N-(3,3-diphenylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-(3,3-diphenylpropyl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(3,3-diphenylpropyl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(3,3-diphenylpropyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(3,3-diphenylpropyl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(3,3-diphenylpropyl)cinchoninamide Formula: C31H25BrN2O MolecularWeight: 521.447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C31H25BrN2O/c32-25-15-9-14-24(20-25)30-21-28(27-16-7-8-17-29(27)34-30)31(35)33-19-18-26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-17,20-21,26H,18-19H2,(H,33,35)