3-[4-morpholin-4-ylcarbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-morpholin-4-ylcarbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(morpholine-4-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[4-morpholinyl(oxo)methyl]-5-(trifluoromethyl)-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(morpholine-4-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(morpholine-4-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Formula: C13H12F3N5O3 MolecularWeight: 343.26129

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1C(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C13H12F3N5O3/c14-13(15,16)11-8(12(23)20-3-5-24-6-4-20)7-17-21(11)9-1-2-10(22)19-18-9/h1-2,7H,3-6H2,(H,19,22)