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

Systemtic Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]pyrazine-2-carboxamide Openeye Name: N-[(1E)-1-[cyano-(3,5-dimethylphenyl)methylene]-2,2-dimethyl-propyl]pyrazine-2-carboxamide CAS Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-2-pyrazinecarboxamide IUPAC Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]pyrazine-2-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(3,5-dimethylphenyl)vinyl]pyrazinamide Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O/c1-13-8-14(2)10-15(9-13)16(11-21)18(20(3,4)5)24-19(25)17-12-22-6-7-23-17/h6-10,12H,1-5H3,(H,24,25)/b18-16-