6-bromanyl-N-[4-[[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]carbonylamino]butyl]-2-(4-tert-butylphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[4-[[6-bromanyl-2-(4-tert-butylphenyl)quinolin-4-yl]carbonylamino]butyl]-2-(4-tert-butylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-[4-[[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]butyl]-2-(4-tert-butylphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[4-[[[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]-oxomethyl]amino]butyl]-2-(4-tert-butylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[4-[[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]butyl]-2-(4-tert-butylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-[4-[[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]butyl]-2-(4-tert-butylphenyl)cinchoninamide Formula: C44H44Br2N4O2 MolecularWeight: 820.65376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCCCNC(=O)C4=CC(=NC5=C4C=C(C=C5)Br)C6=CC=C(C=C6)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCCCNC(=O)C4=CC(=NC5=C4C=C(C=C5)Br)C6=CC=C(C=C6)C(C)(C)C

InChI

InChI=1S/C44H44Br2N4O2/c1-43(2,3)29-13-9-27(10-14-29)39-25-35(33-23-31(45)17-19-37(33)49-39)41(51)47-21-7-8-22-48-42(52)36-26-40(50-38-20-18-32(46)24-34(36)38)28-11-15-30(16-12-28)44(4,5)6/h9-20,23-26H,7-8,21-22H2,1-6H3,(H,47,51)(H,48,52)