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

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

Click to see the large picture

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)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=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/c1-27(2,3)17-6-4-16(5-7-17)23-14-21(20-12-18(28)8-10-22(20)30-23)26(31)29-19-9-11-24-25(13-19)33-15-32-24/h4-14H,15H2,1-3H3,(H,29,31)