7-chloranyl-5-[2-(furan-3-yl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 7-chloranyl-5-[2-(furan-3-yl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-5-[2-(3-furyl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-chloro-5-[2-(3-furanyl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-5-[2-(furan-3-yl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-5-[2-(3-furyl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C16H9ClF3NO3 MolecularWeight: 355.69577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClF3NO3/c17-11-1-2-13-12(7-11)15(16(18,19)20,24-9-14(22)21-13)5-3-10-4-6-23-8-10/h1-2,4,6-8H,9H2,(H,21,22)