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

Systemtic Name: 4-[(4-propylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-propylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-propylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-propylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(4-propylbenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C14H15F3N2O MolecularWeight: 284.27691

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

Isomeric SMILES

CCCC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

InChI

InChI=1S/C14H15F3N2O/c1-2-3-9-4-6-10(7-5-9)8-11-12(14(15,16)17)18-19-13(11)20/h4-7H,2-3,8H2,1H3,(H2,18,19,20)