2-(4-bromanyl-6-butyl-3-oxidanyl-quinolin-2-yl)-5-methyl-indene-1,3-dione

Systemtic Name: 2-(4-bromanyl-6-butyl-3-oxidanyl-quinolin-2-yl)-5-methyl-indene-1,3-dione Openeye Name: 2-(4-bromo-6-butyl-3-hydroxy-2-quinolyl)-5-methyl-indane-1,3-dione CAS Name: 2-(4-bromo-6-butyl-3-hydroxy-2-quinolinyl)-5-methylindene-1,3-dione IUPAC Name: 2-(4-bromo-6-butyl-3-hydroxyquinolin-2-yl)-5-methylindene-1,3-dione Traditional Name: 2-(4-bromo-6-butyl-3-hydroxy-2-quinolyl)-5-methyl-indane-1,3-quinone Formula: C23H20BrNO3 MolecularWeight: 438.3138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C(=C2Br)O)C3C(=O)C4=C(C3=O)C=C(C=C4)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C(=C2Br)O)C3C(=O)C4=C(C3=O)C=C(C=C4)C

InChI

InChI=1S/C23H20BrNO3/c1-3-4-5-13-7-9-17-16(11-13)19(24)23(28)20(25-17)18-21(26)14-8-6-12(2)10-15(14)22(18)27/h6-11,18,28H,3-5H2,1-2H3