N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-3,4-dimethyl-benzamide Openeye Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3,4-dimethyl-benzamide CAS Name: N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide IUPAC Name: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide Traditional Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-3,4-dimethyl-benzamide Formula: C21H16BrN3O2 MolecularWeight: 422.27464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O2/c1-12-3-4-14(7-13(12)2)20(26)24-17-5-6-19-18(9-17)25-21(27-19)15-8-16(22)11-23-10-15/h3-11H,1-2H3,(H,24,26)