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

Systemtic Name: 4-cyano-N-[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]-2-fluoranyl-benzamide Openeye Name: 4-cyano-N-[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]-2-fluoro-benzamide CAS Name: 4-cyano-N-[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]-2-fluorobenzamide IUPAC Name: 4-cyano-N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-2-fluorobenzamide Traditional Name: 4-cyano-N-[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]-2-fluoro-benzamide Formula: C25H23FN6O MolecularWeight: 442.488123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)C1=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/C25H23FN6O/c1-4-31(5-2)18-7-9-19(10-8-18)32-29-23-12-16(3)22(14-24(23)30-32)28-25(33)20-11-6-17(15-27)13-21(20)26/h6-14H,4-5H2,1-3H3,(H,28,33)