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

Systemtic Name: 7-chloranyl-3-methyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-3-methyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-chloro-3-methyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-3-methyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-3-methyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C16H15ClF3NO2 MolecularWeight: 345.74401

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC(C)C)C(F)(F)F

Isomeric SMILES

CC1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC(C)C)C(F)(F)F

InChI

InChI=1S/C16H15ClF3NO2/c1-9(2)6-7-15(16(18,19)20)12-8-11(17)4-5-13(12)21-14(22)10(3)23-15/h4-5,8-10H,1-3H3,(H,21,22)