5-[[4-(3-chloranyl-4-cyano-phenyl)-3,5-dimethyl-pyrazol-1-yl]methyl]-2-fluoranyl-benzamide

Systemtic Name: 5-[[4-(3-chloranyl-4-cyano-phenyl)-3,5-dimethyl-pyrazol-1-yl]methyl]-2-fluoranyl-benzamide Openeye Name: 5-[[4-(3-chloro-4-cyano-phenyl)-3,5-dimethyl-pyrazol-1-yl]methyl]-2-fluoro-benzamide CAS Name: 5-[[4-(3-chloro-4-cyanophenyl)-3,5-dimethyl-1-pyrazolyl]methyl]-2-fluorobenzamide IUPAC Name: 5-[[4-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-1-yl]methyl]-2-fluorobenzamide Traditional Name: 5-[[4-(3-chloro-4-cyano-phenyl)-3,5-dimethyl-pyrazol-1-yl]methyl]-2-fluoro-benzamide Formula: C20H16ClFN4O MolecularWeight: 382.818643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=C(C=C2)F)C(=O)N)C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=C(C=C2)F)C(=O)N)C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H16ClFN4O/c1-11-19(14-4-5-15(9-23)17(21)8-14)12(2)26(25-11)10-13-3-6-18(22)16(7-13)20(24)27/h3-8H,10H2,1-2H3,(H2,24,27)