N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[(1E)-1-[(4-benzylphenyl)-cyano-methylene]-2,2-dimethyl-propyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1-(4-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[(E)-2-(4-benzylphenyl)-1-tert-butyl-2-cyano-vinyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC(=C(C#N)C2=CC=C(C=C2)CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N/C(=C(/C#N)\C2=CC=C(C=C2)CC3=CC=CC=C3)/C(C)(C)C

InChI

InChI=1S/C26H28N4O/c1-18-15-23(29-30(18)5)25(31)28-24(26(2,3)4)22(17-27)21-13-11-20(12-14-21)16-19-9-7-6-8-10-19/h6-15H,16H2,1-5H3,(H,28,31)/b24-22-