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

Systemtic Name: 4-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-methyl-5-phenyl-pyrazole-3-carboxamide Openeye Name: 4-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-methyl-5-phenyl-pyrazole-3-carboxamide CAS Name: 4-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-methyl-5-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-methyl-5-phenylpyrazole-3-carboxamide Traditional Name: 4-(3-cyano-4-neopentyloxy-phenyl)-1-methyl-5-phenyl-pyrazole-3-carboxamide Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)C2=C(N(N=C2C(=O)N)C)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)C2=C(N(N=C2C(=O)N)C)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H24N4O2/c1-23(2,3)14-29-18-11-10-16(12-17(18)13-24)19-20(22(25)28)26-27(4)21(19)15-8-6-5-7-9-15/h5-12H,14H2,1-4H3,(H2,25,28)