7-fluoranyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 7-fluoranyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-fluoro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-fluoro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-fluoro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-fluoro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C15H13F4NO2 MolecularWeight: 315.262833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC1(C2=C(C=CC(=C2)F)NC(=O)CO1)C(F)(F)F

Isomeric SMILES

CC(C)C#CC1(C2=C(C=CC(=C2)F)NC(=O)CO1)C(F)(F)F

InChI

InChI=1S/C15H13F4NO2/c1-9(2)5-6-14(15(17,18)19)11-7-10(16)3-4-12(11)20-13(21)8-22-14/h3-4,7,9H,8H2,1-2H3,(H,20,21)