N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-4-cyano-2-fluoro-benzamide CAS Name: N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-4-cyano-2-fluorobenzamide Traditional Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-4-cyano-2-fluoro-benzamide Formula: C24H19ClFN5O MolecularWeight: 447.891963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C24H19ClFN5O/c1-2-3-4-15-5-8-17(9-6-15)31-29-22-12-19(25)21(13-23(22)30-31)28-24(32)18-10-7-16(14-27)11-20(18)26/h5-13H,2-4H2,1H3,(H,28,32)