2-methyl-N'-[2-methyl-1-[3-methylbutyl-[4-(2-phenylethynyl)phenyl]amino]propan-2-yl]pentanediamide

Systemtic Name: 2-methyl-N'-[2-methyl-1-[3-methylbutyl-[4-(2-phenylethynyl)phenyl]amino]propan-2-yl]pentanediamide Openeye Name: N'-[2-[N-isopentyl-4-(2-phenylethynyl)anilino]-1,1-dimethyl-ethyl]-2-methyl-pentanediamide CAS Name: 2-methyl-N'-[2-methyl-1-[N-(3-methylbutyl)-4-(2-phenylethynyl)anilino]propan-2-yl]pentanediamide IUPAC Name: 2-methyl-N'-[2-methyl-1-[N-(3-methylbutyl)-4-(2-phenylethynyl)anilino]propan-2-yl]pentanediamide Traditional Name: N'-[2-[N-isoamyl-4-(2-phenylethynyl)anilino]-1,1-dimethyl-ethyl]-2-methyl-glutaramide Formula: C29H39N3O2 MolecularWeight: 461.63886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O2/c1-22(2)19-20-32(21-29(4,5)31-27(33)18-11-23(3)28(30)34)26-16-14-25(15-17-26)13-12-24-9-7-6-8-10-24/h6-10,14-17,22-23H,11,18-21H2,1-5H3,(H2,30,34)(H,31,33)