N-[1-(1-adamantyl)ethyl]-2-(3-bromophenyl)quinoline-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(3-bromophenyl)quinoline-4-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-(3-bromophenyl)quinoline-4-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-(3-bromophenyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(3-bromophenyl)quinoline-4-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-(3-bromophenyl)cinchoninamide Formula: C28H29BrN2O MolecularWeight: 489.44666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC(=CC=C6)Br

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC(=CC=C6)Br

InChI

InChI=1S/C28H29BrN2O/c1-17(28-14-18-9-19(15-28)11-20(10-18)16-28)30-27(32)24-13-26(21-5-4-6-22(29)12-21)31-25-8-3-2-7-23(24)25/h2-8,12-13,17-20H,9-11,14-16H2,1H3,(H,30,32)