3-chloranyl-9-(trifluoromethyl)-6H-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Systemtic Name: 3-chloranyl-9-(trifluoromethyl)-6H-pyridazino[3,4-b][1,5]benzoxazepin-5-one Openeye Name: 3-chloro-9-(trifluoromethyl)-6H-pyridazino[3,4-b][1,5]benzoxazepin-5-one CAS Name: 3-chloro-9-(trifluoromethyl)-6H-pyridazino[3,4-b][1,5]benzoxazepin-5-one IUPAC Name: 3-chloro-9-(trifluoromethyl)-6H-pyridazino[3,4-b][1,5]benzoxazepin-5-one Traditional Name: 3-chloro-9-(trifluoromethyl)-6H-pyridazino[3,4-b][1,5]benzoxazepin-5-one Formula: C12H5ClF3N3O2 MolecularWeight: 315.63521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)OC3=NN=C(C=C3C(=O)N2)Cl

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)OC3=NN=C(C=C3C(=O)N2)Cl

InChI

InChI=1S/C12H5ClF3N3O2/c13-9-4-6-10(20)17-7-2-1-5(12(14,15)16)3-8(7)21-11(6)19-18-9/h1-4H,(H,17,20)