5-(2-cyclopropylethynyl)-7-fluoranyl-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 5-(2-cyclopropylethynyl)-7-fluoranyl-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 5-(2-cyclopropylethynyl)-7-fluoro-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 5-(2-cyclopropylethynyl)-7-fluoro-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 5-(2-cyclopropylethynyl)-7-fluoro-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 5-(2-cyclopropylethynyl)-7-fluoro-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C16H13F4NO2 MolecularWeight: 327.273533

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(C=C(C=C2)F)C(O1)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CC1C(=O)NC2=C(C=C(C=C2)F)C(O1)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C16H13F4NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)