N-(1-adamantyl)-2-(4-bromophenyl)quinoline-4-carboxamide

Systemtic Name: N-(1-adamantyl)-2-(4-bromophenyl)quinoline-4-carboxamide Openeye Name: N-(1-adamantyl)-2-(4-bromophenyl)quinoline-4-carboxamide CAS Name: N-(1-adamantyl)-2-(4-bromophenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-2-(4-bromophenyl)quinoline-4-carboxamide Traditional Name: N-(1-adamantyl)-2-(4-bromophenyl)cinchoninamide Formula: C26H25BrN2O MolecularWeight: 461.3935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)Br

InChI

InChI=1S/C26H25BrN2O/c27-20-7-5-19(6-8-20)24-12-22(21-3-1-2-4-23(21)28-24)25(30)29-26-13-16-9-17(14-26)11-18(10-16)15-26/h1-8,12,16-18H,9-11,13-15H2,(H,29,30)