N'-[1-(tert-butylamino)-1-oxidanylidene-3-[4-(2-phenylethynyl)phenyl]propan-2-yl]-2-methyl-pentanediamide

Systemtic Name: N'-[1-(tert-butylamino)-1-oxidanylidene-3-[4-(2-phenylethynyl)phenyl]propan-2-yl]-2-methyl-pentanediamide Openeye Name: N'-[2-(tert-butylamino)-2-oxo-1-[[4-(2-phenylethynyl)phenyl]methyl]ethyl]-2-methyl-pentanediamide CAS Name: N'-[1-(tert-butylamino)-1-oxo-3-[4-(2-phenylethynyl)phenyl]propan-2-yl]-2-methylpentanediamide IUPAC Name: N'-[1-(tert-butylamino)-1-oxo-3-[4-(2-phenylethynyl)phenyl]propan-2-yl]-2-methylpentanediamide Traditional Name: N'-[2-(tert-butylamino)-2-keto-1-[4-(2-phenylethynyl)benzyl]ethyl]-2-methyl-glutaramide Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)C(=O)NC(C)(C)C)C(=O)N

Isomeric SMILES

CC(CCC(=O)NC(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)C(=O)NC(C)(C)C)C(=O)N

InChI

InChI=1S/C27H33N3O3/c1-19(25(28)32)10-17-24(31)29-23(26(33)30-27(2,3)4)18-22-15-13-21(14-16-22)12-11-20-8-6-5-7-9-20/h5-9,13-16,19,23H,10,17-18H2,1-4H3,(H2,28,32)(H,29,31)(H,30,33)