7-chloranyl-5-(2-phenylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-phenylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-5-(2-phenylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-chloro-5-(2-phenylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-5-(2-phenylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-5-(2-phenylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C18H11ClF3NO2 MolecularWeight: 365.73365

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H11ClF3NO2/c19-13-6-7-15-14(10-13)17(18(20,21)22,25-11-16(24)23-15)9-8-12-4-2-1-3-5-12/h1-7,10H,11H2,(H,23,24)