7-chloranyl-5-(2-pyridin-3-ylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-pyridin-3-ylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Openeye Name: 7-chloro-5-[2-(3-pyridyl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-chloro-5-[2-(3-pyridinyl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-chloro-5-(2-pyridin-3-ylethynyl)-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Traditional Name: 7-chloro-5-[2-(3-pyridyl)ethynyl]-5-(trifluoromethyl)-1H-4,1-benzoxazepin-2-one Formula: C17H10ClF3N2O2 MolecularWeight: 366.72171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClF3N2O2/c18-12-3-4-14-13(8-12)16(17(19,20)21,25-10-15(24)23-14)6-5-11-2-1-7-22-9-11/h1-4,7-9H,10H2,(H,23,24)