6-bromanyl-2-(4-tert-butylphenyl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-tert-butylphenyl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-tert-butylphenyl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-tert-butylphenyl)-N-[(4-chlorophenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-tert-butylphenyl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-tert-butylphenyl)-N-(4-chlorobenzyl)cinchoninamide Formula: C27H24BrClN2O MolecularWeight: 507.84926

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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)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24BrClN2O/c1-27(2,3)19-8-6-18(7-9-19)25-15-23(22-14-20(28)10-13-24(22)31-25)26(32)30-16-17-4-11-21(29)12-5-17/h4-15H,16H2,1-3H3,(H,30,32)