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

Systemtic Name: 7-chloranyl-3-cyclopropyl-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-3-cyclopropyl-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-chloro-3-cyclopropyl-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-3-cyclopropyl-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-3-cyclopropyl-5-(2-cyclopropylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C18H15ClF3NO2 MolecularWeight: 369.76541

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)C(O2)C4CC4)C(F)(F)F

Isomeric SMILES

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)C(O2)C4CC4)C(F)(F)F

InChI

InChI=1S/C18H15ClF3NO2/c19-12-5-6-14-13(9-12)17(18(20,21)22,8-7-10-1-2-10)25-15(11-3-4-11)16(24)23-14/h5-6,9-11,15H,1-4H2,(H,23,24)