6-bromanyl-2-(4-butylphenyl)-N-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-butylphenyl)-N-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-butylphenyl)-N-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-butylphenyl)-N-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-butylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-butylphenyl)-N-(3-pyridyl)cinchoninamide Formula: C25H22BrN3O MolecularWeight: 460.36568

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrN3O/c1-2-3-5-17-7-9-18(10-8-17)24-15-22(21-14-19(26)11-12-23(21)29-24)25(30)28-20-6-4-13-27-16-20/h4,6-16H,2-3,5H2,1H3,(H,28,30)