5-bromanyl-N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-(6-methyl-2-p-phenetyl-benzotriazol-5-yl)-2-furamide Formula: C20H17BrN4O3 MolecularWeight: 441.27798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC=C(O4)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC=C(O4)Br)C

InChI

InChI=1S/C20H17BrN4O3/c1-3-27-14-6-4-13(5-7-14)25-23-16-10-12(2)15(11-17(16)24-25)22-20(26)18-8-9-19(21)28-18/h4-11H,3H2,1-2H3,(H,22,26)