3-(2-bromoethyl)-7-chloranyl-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 3-(2-bromoethyl)-7-chloranyl-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 3-(2-bromoethyl)-7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 3-(2-bromoethyl)-7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 3-(2-bromoethyl)-7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 3-(2-bromoethyl)-7-chloro-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C17H14BrClF3NO2 MolecularWeight: 436.65077

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)C(O2)CCBr)C(F)(F)F

Isomeric SMILES

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)C(O2)CCBr)C(F)(F)F

InChI

InChI=1S/C17H14BrClF3NO2/c18-8-6-14-15(24)23-13-4-3-11(19)9-12(13)16(25-14,17(20,21)22)7-5-10-1-2-10/h3-4,9-10,14H,1-2,6,8H2,(H,23,24)