5-bromanyl-N-[4-(4-ethoxy-3-methyl-phenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(4-ethoxy-3-methyl-phenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 5-bromo-N-[4-(4-ethoxy-3-methyl-phenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-benzofuran-2-carboxamide CAS Name: 5-bromo-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-2-benzofurancarboxamide IUPAC Name: 5-bromo-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-bromo-N-[4-(4-ethoxy-3-methyl-phenyl)furazan-3-yl]-3-methyl-coumarilamide Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NON=C2NC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NON=C2NC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C)C

InChI

InChI=1S/C21H18BrN3O4/c1-4-27-16-7-5-13(9-11(16)2)18-20(25-29-24-18)23-21(26)19-12(3)15-10-14(22)6-8-17(15)28-19/h5-10H,4H2,1-3H3,(H,23,25,26)