N-(1,3-benzodioxol-5-yl)-6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-butylphenyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-butylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-butylphenyl)quinoline-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-butylphenyl)cinchoninamide Formula: C27H23BrN2O3 MolecularWeight: 503.38712

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23BrN2O3/c1-2-3-4-17-5-7-18(8-6-17)24-15-22(21-13-19(28)9-11-23(21)30-24)27(31)29-20-10-12-25-26(14-20)33-16-32-25/h5-15H,2-4,16H2,1H3,(H,29,31)