N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Traditional Name: N-(3-cyano-4-neopentyloxy-phenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C22H21FN4O2/c1-22(2,3)14-29-20-9-6-18(10-15(20)11-24)26-21(28)16-12-25-27(13-16)19-7-4-17(23)5-8-19/h4-10,12-13H,14H2,1-3H3,(H,26,28)