4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-(3-hydroxybenzyl)-4-piperonyl-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C19H15F3N2O4 MolecularWeight: 392.32861

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=C(NN(C3=O)CC4=CC(=CC=C4)O)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=C(NN(C3=O)CC4=CC(=CC=C4)O)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O4/c20-19(21,22)17-14(7-11-4-5-15-16(8-11)28-10-27-15)18(26)24(23-17)9-12-2-1-3-13(25)6-12/h1-6,8,23,25H,7,9-10H2