4-[(2-phenylmethoxyphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(2-phenylmethoxyphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(2-benzyloxyphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(2-phenylmethoxyphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(2-phenylmethoxyphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(2-benzoxybenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C18H15F3N2O2 MolecularWeight: 348.31911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2CC3=C(NNC3=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CC3=C(NNC3=O)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O2/c19-18(20,21)16-14(17(24)23-22-16)10-13-8-4-5-9-15(13)25-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,22,23,24)