N-(4,4-dimethyl-1-phenyl-pent-1-yn-3-yl)-4-iodanyl-benzamide

Systemtic Name: N-(4,4-dimethyl-1-phenyl-pent-1-yn-3-yl)-4-iodanyl-benzamide Openeye Name: N-(1-tert-butyl-3-phenyl-prop-2-ynyl)-4-iodo-benzamide CAS Name: N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)-4-iodobenzamide IUPAC Name: N-(4,4-dimethyl-1-phenylpent-1-yn-3-yl)-4-iodobenzamide Traditional Name: N-(1-tert-butyl-3-phenyl-prop-2-ynyl)-4-iodo-benzamide Formula: C20H20INO MolecularWeight: 417.28337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20INO/c1-20(2,3)18(14-9-15-7-5-4-6-8-15)22-19(23)16-10-12-17(21)13-11-16/h4-8,10-13,18H,1-3H3,(H,22,23)