N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-4-cyano-2-fluoro-benzamide CAS Name: N-[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-4-cyano-2-fluorobenzamide Traditional Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-4-cyano-2-fluoro-benzamide Formula: C21H13ClFN5O MolecularWeight: 405.812223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=C(C=C3)C#N)F)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=C(C=C3)C#N)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClFN5O/c1-12-8-19-20(27-28(26-19)15-5-3-14(22)4-6-15)10-18(12)25-21(29)16-7-2-13(11-24)9-17(16)23/h2-10H,1H3,(H,25,29)