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

Systemtic Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide CAS Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide Traditional Name: N-(3-cyano-4-neopentyloxy-phenyl)-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Formula: C23H23FN4O2 MolecularWeight: 406.452723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN4O2/c1-15-20(13-28(27-15)19-8-5-17(24)6-9-19)22(29)26-18-7-10-21(16(11-18)12-25)30-14-23(2,3)4/h5-11,13H,14H2,1-4H3,(H,26,29)