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

Systemtic Name: 3-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-5-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-6-one Formula: C21H18F3N7O2 MolecularWeight: 457.40853

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C(F)(F)F)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H18F3N7O2/c22-21(23,24)18-13(10-25-31(18)16-7-8-17(32)29-28-16)20(33)30-9-3-4-12(11-30)19-26-14-5-1-2-6-15(14)27-19/h1-2,5-8,10,12H,3-4,9,11H2,(H,26,27)(H,29,32)