4-cyano-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-fluoranyl-benzamide

Systemtic Name: 4-cyano-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-fluoranyl-benzamide Openeye Name: 4-cyano-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-fluoro-benzamide CAS Name: 4-cyano-N-[2-(4-ethoxyphenyl)-5-benzotriazolyl]-2-fluorobenzamide IUPAC Name: 4-cyano-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-fluorobenzamide Traditional Name: 4-cyano-2-fluoro-N-(2-p-phenetylbenzotriazol-5-yl)benzamide Formula: C22H16FN5O2 MolecularWeight: 401.393143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C22H16FN5O2/c1-2-30-17-7-5-16(6-8-17)28-26-20-10-4-15(12-21(20)27-28)25-22(29)18-9-3-14(13-24)11-19(18)23/h3-12H,2H2,1H3,(H,25,29)