3-[4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]carbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-[4-(5-bromopyrimidin-2-yl)piperazine-1-carbonyl]-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Formula: C17H14BrF3N8O2 MolecularWeight: 499.24467

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C(F)(F)F

InChI

InChI=1S/C17H14BrF3N8O2/c18-10-7-22-16(23-8-10)28-5-3-27(4-6-28)15(31)11-9-24-29(14(11)17(19,20)21)12-1-2-13(30)26-25-12/h1-2,7-9H,3-6H2,(H,26,30)