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

Systemtic Name: 7-chloranyl-3-ethyl-5-[2-(furan-3-yl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-3-ethyl-5-[2-(3-furyl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-chloro-3-ethyl-5-[2-(3-furanyl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-3-ethyl-5-[2-(furan-3-yl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-3-ethyl-5-[2-(3-furyl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C18H13ClF3NO3 MolecularWeight: 383.74893

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC3=COC=C3)C(F)(F)F

Isomeric SMILES

CCC1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC3=COC=C3)C(F)(F)F

InChI

InChI=1S/C18H13ClF3NO3/c1-2-15-16(24)23-14-4-3-12(19)9-13(14)17(26-15,18(20,21)22)7-5-11-6-8-25-10-11/h3-4,6,8-10,15H,2H2,1H3,(H,23,24)