6-(1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridazinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-[4-(trifluoromethyl)benzyl]pyridazin-3-one Formula: C19H13F3N2O3 MolecularWeight: 374.31333

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=O)C=C3)CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H13F3N2O3/c20-19(21,22)14-4-1-12(2-5-14)10-24-18(25)8-6-15(23-24)13-3-7-16-17(9-13)27-11-26-16/h1-9H,10-11H2