1-tert-butyl-N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-tert-butyl-N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-tert-butyl-N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-tert-butyl-N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-tert-butyl-N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-tert-butyl-N-(3-cyano-4-neopentyloxy-phenyl)-5-methyl-pyrazole-4-carboxamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C(C)(C)C)C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C=NN1C(C)(C)C)C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N

InChI

InChI=1S/C21H28N4O2/c1-14-17(12-23-25(14)21(5,6)7)19(26)24-16-8-9-18(15(10-16)11-22)27-13-20(2,3)4/h8-10,12H,13H2,1-7H3,(H,24,26)