3-(4-bromanyl-2,6-diethyl-phenyl)-5-methyl-2-oxidanyl-6-pyridin-2-yl-pyran-4-one

Systemtic Name: 3-(4-bromanyl-2,6-diethyl-phenyl)-5-methyl-2-oxidanyl-6-pyridin-2-yl-pyran-4-one Openeye Name: 3-(4-bromo-2,6-diethyl-phenyl)-2-hydroxy-5-methyl-6-(2-pyridyl)pyran-4-one CAS Name: 3-(4-bromo-2,6-diethylphenyl)-2-hydroxy-5-methyl-6-(2-pyridinyl)-4-pyranone IUPAC Name: 3-(4-bromo-2,6-diethylphenyl)-2-hydroxy-5-methyl-6-pyridin-2-ylpyran-4-one Traditional Name: 3-(4-bromo-2,6-diethyl-phenyl)-2-hydroxy-5-methyl-6-(2-pyridyl)pyran-4-one Formula: C21H20BrNO3 MolecularWeight: 414.2924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1C2=C(OC(=C(C2=O)C)C3=CC=CC=N3)O)CC)Br

Isomeric SMILES

CCC1=CC(=CC(=C1C2=C(OC(=C(C2=O)C)C3=CC=CC=N3)O)CC)Br

InChI

InChI=1S/C21H20BrNO3/c1-4-13-10-15(22)11-14(5-2)17(13)18-19(24)12(3)20(26-21(18)25)16-8-6-7-9-23-16/h6-11,25H,4-5H2,1-3H3