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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C(=O)N(C2=CC(=C(C=C2)OCC(C)(C)C)C#N)C(C)(C)C

Isomeric SMILES

CC1=C(C=NN1)C(=O)N(C2=CC(=C(C=C2)OCC(C)(C)C)C#N)C(C)(C)C

InChI

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