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

Systemtic Name: 4-[(4-butylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-butylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-butylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-butylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(4-butylbenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C15H17F3N2O MolecularWeight: 298.30349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

InChI

InChI=1S/C15H17F3N2O/c1-2-3-4-10-5-7-11(8-6-10)9-12-13(15(16,17)18)19-20-14(12)21/h5-8H,2-4,9H2,1H3,(H2,19,20,21)