N-(5,5-dimethyl-1-phenyl-hex-1-yn-3-yl)benzamide

Systemtic Name: N-(5,5-dimethyl-1-phenyl-hex-1-yn-3-yl)benzamide Openeye Name: N-[3,3-dimethyl-1-(2-phenylethynyl)butyl]benzamide CAS Name: N-(5,5-dimethyl-1-phenylhex-1-yn-3-yl)benzamide IUPAC Name: N-(5,5-dimethyl-1-phenylhex-1-yn-3-yl)benzamide Traditional Name: N-(1-neopentyl-3-phenyl-prop-2-ynyl)benzamide Formula: C21H23NO MolecularWeight: 305.41342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO/c1-21(2,3)16-19(15-14-17-10-6-4-7-11-17)22-20(23)18-12-8-5-9-13-18/h4-13,19H,16H2,1-3H3,(H,22,23)