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

Systemtic Name: 2-acetamido-N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]benzamide Openeye Name: 2-acetamido-N-[(1E)-1-[cyano-(3,5-dimethylphenyl)methylene]-2,2-dimethyl-propyl]benzamide CAS Name: 2-acetamido-N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]benzamide IUPAC Name: 2-acetamido-N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]benzamide Traditional Name: 2-acetamido-N-[(E)-1-tert-butyl-2-cyano-2-(3,5-dimethylphenyl)vinyl]benzamide Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=C(C(C)(C)C)NC(=O)C2=CC=CC=C2NC(=O)C)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)/C(=C(/C(C)(C)C)\NC(=O)C2=CC=CC=C2NC(=O)C)/C#N)C

InChI

InChI=1S/C24H27N3O2/c1-15-11-16(2)13-18(12-15)20(14-25)22(24(4,5)6)27-23(29)19-9-7-8-10-21(19)26-17(3)28/h7-13H,1-6H3,(H,26,28)(H,27,29)/b22-20-