N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[(1E)-1-[cyano-(3,5-dimethylphenyl)methylene]-2,2-dimethyl-propyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(3,5-dimethylphenyl)vinyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=C(C(C)(C)C)NC(=O)C2=NN(C(=C2)C)C)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)/C(=C(/C(C)(C)C)\NC(=O)C2=NN(C(=C2)C)C)/C#N)C

InChI

InChI=1S/C21H26N4O/c1-13-8-14(2)10-16(9-13)17(12-22)19(21(4,5)6)23-20(26)18-11-15(3)25(7)24-18/h8-11H,1-7H3,(H,23,26)/b19-17-