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

Systemtic Name: 7-chloranyl-5-(2-cyclopropylethynyl)-3-propan-2-yl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-5-(2-cyclopropylethynyl)-3-isopropyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-chloro-5-(2-cyclopropylethynyl)-3-propan-2-yl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-5-(2-cyclopropylethynyl)-3-propan-2-yl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-5-(2-cyclopropylethynyl)-3-isopropyl-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C18H17ClF3NO2 MolecularWeight: 371.78129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CC(C)C1C(=O)NC2=C(C=C(C=C2)Cl)C(O1)(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C18H17ClF3NO2/c1-10(2)15-16(24)23-14-6-5-12(19)9-13(14)17(25-15,18(20,21)22)8-7-11-3-4-11/h5-6,9-11,15H,3-4H2,1-2H3,(H,23,24)