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

Systemtic Name: 5-(2-cyclopropylethynyl)-3-ethyl-7-fluoranyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 5-(2-cyclopropylethynyl)-3-ethyl-7-fluoro-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 5-(2-cyclopropylethynyl)-3-ethyl-7-fluoro-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 5-(2-cyclopropylethynyl)-3-ethyl-7-fluoro-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 5-(2-cyclopropylethynyl)-3-ethyl-7-fluoro-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C17H15F4NO2 MolecularWeight: 341.300113

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(C=C(C=C2)F)C(O1)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CCC1C(=O)NC2=C(C=C(C=C2)F)C(O1)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C17H15F4NO2/c1-2-14-15(23)22-13-6-5-11(18)9-12(13)16(24-14,17(19,20)21)8-7-10-3-4-10/h5-6,9-10,14H,2-4H2,1H3,(H,22,23)