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

Systemtic Name: 6-bromanyl-2-(4-tert-butylphenyl)-N-pentyl-quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-tert-butylphenyl)-N-pentyl-quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-tert-butylphenyl)-N-pentyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-tert-butylphenyl)-N-pentylquinoline-4-carboxamide Traditional Name: N-amyl-6-bromo-2-(4-tert-butylphenyl)cinchoninamide Formula: C25H29BrN2O MolecularWeight: 453.41456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrN2O/c1-5-6-7-14-27-24(29)21-16-23(28-22-13-12-19(26)15-20(21)22)17-8-10-18(11-9-17)25(2,3)4/h8-13,15-16H,5-7,14H2,1-4H3,(H,27,29)