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

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

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

Isomeric SMILES

CCCCC1=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/c1-2-3-4-18-5-9-20(10-6-18)26-16-24(23-15-21(28)11-14-25(23)31-26)27(32)30-17-19-7-12-22(29)13-8-19/h5-16H,2-4,17H2,1H3,(H,30,32)