6-bromanyl-N,2-bis(4-butylphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N,2-bis(4-butylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N,2-bis(4-butylphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N,2-bis(4-butylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N,2-bis(4-butylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N,2-bis(4-butylphenyl)cinchoninamide Formula: C30H31BrN2O MolecularWeight: 515.48394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=C(C=C4)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=C(C=C4)CCCC

InChI

InChI=1S/C30H31BrN2O/c1-3-5-7-21-9-13-23(14-10-21)29-20-27(26-19-24(31)15-18-28(26)33-29)30(34)32-25-16-11-22(12-17-25)8-6-4-2/h9-20H,3-8H2,1-2H3,(H,32,34)