6-bromanyl-2-(4-tert-butylphenyl)-N-heptan-2-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-tert-butylphenyl)-N-heptan-2-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-tert-butylphenyl)-N-(1-methylhexyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-tert-butylphenyl)-N-heptan-2-yl-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-tert-butylphenyl)-N-heptan-2-ylquinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-tert-butylphenyl)-N-(1-methylhexyl)cinchoninamide Formula: C27H33BrN2O MolecularWeight: 481.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H33BrN2O/c1-6-7-8-9-18(2)29-26(31)23-17-25(30-24-15-14-21(28)16-22(23)24)19-10-12-20(13-11-19)27(3,4)5/h10-18H,6-9H2,1-5H3,(H,29,31)