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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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