4-[(2-ethyl-2-methyl-butanoyl)amino]-N-[4-(2-phenylethynyl)phenyl]benzamide

Systemtic Name: 4-[(2-ethyl-2-methyl-butanoyl)amino]-N-[4-(2-phenylethynyl)phenyl]benzamide Openeye Name: 4-[(2-ethyl-2-methyl-butanoyl)amino]-N-[4-(2-phenylethynyl)phenyl]benzamide CAS Name: 4-[(2-ethyl-2-methyl-1-oxobutyl)amino]-N-[4-(2-phenylethynyl)phenyl]benzamide IUPAC Name: 4-[(2-ethyl-2-methylbutanoyl)amino]-N-[4-(2-phenylethynyl)phenyl]benzamide Traditional Name: 4-[(2-ethyl-2-methyl-butanoyl)amino]-N-[4-(2-phenylethynyl)phenyl]benzamide Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCC(C)(CC)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C28H28N2O2/c1-4-28(3,5-2)27(32)30-25-19-15-23(16-20-25)26(31)29-24-17-13-22(14-18-24)12-11-21-9-7-6-8-10-21/h6-10,13-20H,4-5H2,1-3H3,(H,29,31)(H,30,32)