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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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