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

Systemtic Name: N-[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]-2,4-dimethoxy-benzamide Openeye Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2,4-dimethoxy-benzamide CAS Name: N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2,4-dimethoxybenzamide IUPAC Name: N-[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]-2,4-dimethoxybenzamide Traditional Name: N-[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]-2,4-dimethoxy-benzamide Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)OC

InChI

InChI=1S/C21H16BrN3O4/c1-27-15-4-5-16(19(9-15)28-2)20(26)24-14-3-6-18-17(8-14)25-21(29-18)12-7-13(22)11-23-10-12/h3-11H,1-2H3,(H,24,26)