4-[(4-ethylphenyl)methyl]-2-(phenylmethyl)-3-(trifluoromethyl)-1H-pyrazol-5-one

Systemtic Name: 4-[(4-ethylphenyl)methyl]-2-(phenylmethyl)-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: 2-benzyl-4-[(4-ethylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: 4-[(4-ethylphenyl)methyl]-2-(phenylmethyl)-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: 2-benzyl-4-[(4-ethylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: 1-benzyl-4-(4-ethylbenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C20H19F3N2O MolecularWeight: 360.37287

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N(NC2=O)CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N(NC2=O)CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O/c1-2-14-8-10-15(11-9-14)12-17-18(20(21,22)23)25(24-19(17)26)13-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,24,26)