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

Systemtic Name: 3-[4-[4-(2-methylpropyl)piperazin-1-yl]carbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(4-isobutylpiperazine-1-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[[4-(2-methylpropyl)-1-piperazinyl]-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(4-isobutylpiperazine-1-carbonyl)-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Formula: C17H21F3N6O2 MolecularWeight: 398.38285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

Isomeric SMILES

CC(C)CN1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F

InChI

InChI=1S/C17H21F3N6O2/c1-11(2)10-24-5-7-25(8-6-24)16(28)12-9-21-26(15(12)17(18,19)20)13-3-4-14(27)23-22-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,23,27)