N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-2-(2,3-dimethylphenoxy)ethanamide

Systemtic Name: N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-2-(2,3-dimethylphenoxy)ethanamide Openeye Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2-(2,3-dimethylphenoxy)acetamide CAS Name: N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-(2,3-dimethylphenoxy)acetamide IUPAC Name: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-2-(2,3-dimethylphenoxy)acetamide Traditional Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2-(2,3-dimethylphenoxy)acetamide Formula: C22H18BrN3O3 MolecularWeight: 452.30062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)C

InChI

InChI=1S/C22H18BrN3O3/c1-13-4-3-5-19(14(13)2)28-12-21(27)25-17-6-7-20-18(9-17)26-22(29-20)15-8-16(23)11-24-10-15/h3-11H,12H2,1-2H3,(H,25,27)