1-[3,5-bis(trifluoromethyl)phenyl]-1,2-diazinan-3-one

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-1,2-diazinan-3-one Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]hexahydropyridazin-3-one CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-diazinanone IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]diazinan-3-one Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]hexahydropyridazin-3-one Formula: C12H10F6N2O MolecularWeight: 312.211019

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN(C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC(=O)NN(C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H10F6N2O/c13-11(14,15)7-4-8(12(16,17)18)6-9(5-7)20-3-1-2-10(21)19-20/h4-6H,1-3H2,(H,19,21)