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

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-cyano-2-fluoro-benzamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-4-cyano-2-fluorobenzamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-4-cyano-2-fluoro-benzamide Formula: C25H22FN5O MolecularWeight: 427.473483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FN5O/c1-3-4-5-17-6-9-19(10-7-17)31-29-23-12-16(2)22(14-24(23)30-31)28-25(32)20-11-8-18(15-27)13-21(20)26/h6-14H,3-5H2,1-2H3,(H,28,32)