(3S,5S)-5-[(E)-2-cyclopropylethenyl]-7,8-bis(fluoranyl)-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: (3S,5S)-5-[(E)-2-cyclopropylethenyl]-7,8-bis(fluoranyl)-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: (3S,5S)-5-[(E)-2-cyclopropylvinyl]-7,8-difluoro-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: (3S,5S)-5-[(E)-2-cyclopropylethenyl]-7,8-difluoro-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: (3S,5S)-5-[(E)-2-cyclopropylethenyl]-7,8-difluoro-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: (3S,5S)-5-[(E)-2-cyclopropylvinyl]-7,8-difluoro-3-methyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C16H14F5NO2 MolecularWeight: 347.279876

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=CC(=C(C=C2C(O1)(C=CC3CC3)C(F)(F)F)F)F

Isomeric SMILES

C[C@H]1C(=O)NC2=CC(=C(C=C2[C@@](O1)(/C=C/C3CC3)C(F)(F)F)F)F

InChI

InChI=1S/C16H14F5NO2/c1-8-14(23)22-13-7-12(18)11(17)6-10(13)15(24-8,16(19,20)21)5-4-9-2-3-9/h4-9H,2-3H2,1H3,(H,22,23)/b5-4+/t8-,15-/m0/s1