4-(2,2-dimethylbutanoylamino)-N-[4-(2-phenylethynyl)phenyl]benzamide

Systemtic Name: 4-(2,2-dimethylbutanoylamino)-N-[4-(2-phenylethynyl)phenyl]benzamide Openeye Name: 4-(2,2-dimethylbutanoylamino)-N-[4-(2-phenylethynyl)phenyl]benzamide CAS Name: 4-[(2,2-dimethyl-1-oxobutyl)amino]-N-[4-(2-phenylethynyl)phenyl]benzamide IUPAC Name: 4-(2,2-dimethylbutanoylamino)-N-[4-(2-phenylethynyl)phenyl]benzamide Traditional Name: 4-(2,2-dimethylbutanoylamino)-N-[4-(2-phenylethynyl)phenyl]benzamide Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2/c1-4-27(2,3)26(31)29-24-18-14-22(15-19-24)25(30)28-23-16-12-21(13-17-23)11-10-20-8-6-5-7-9-20/h5-9,12-19H,4H2,1-3H3,(H,28,30)(H,29,31)