2-(4-bromophenyl)-N-heptan-2-yl-quinoline-4-carboxamide

Systemtic Name: 2-(4-bromophenyl)-N-heptan-2-yl-quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-(1-methylhexyl)quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-heptan-2-yl-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-heptan-2-ylquinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-(1-methylhexyl)cinchoninamide Formula: C23H25BrN2O MolecularWeight: 425.3614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H25BrN2O/c1-3-4-5-8-16(2)25-23(27)20-15-22(17-11-13-18(24)14-12-17)26-21-10-7-6-9-19(20)21/h6-7,9-16H,3-5,8H2,1-2H3,(H,25,27)