3-[4-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(4-benzoylpiperazine-1-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[(4-benzoyl-1-piperazinyl)-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(4-benzoylpiperazine-1-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-benzoylpiperazine-1-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Formula: C20H17F3N6O3 MolecularWeight: 446.38259

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N6O3/c21-20(22,23)17-14(12-24-29(17)15-6-7-16(30)26-25-15)19(32)28-10-8-27(9-11-28)18(31)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,26,30)