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

Systemtic Name: 2-cyclobutyl-4-[(4-ethylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: 2-cyclobutyl-4-[(4-ethylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: 2-cyclobutyl-4-[(4-ethylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: 2-cyclobutyl-4-[(4-ethylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: 1-cyclobutyl-4-(4-ethylbenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C17H19F3N2O MolecularWeight: 324.34077

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N(NC2=O)C3CCC3)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N(NC2=O)C3CCC3)C(F)(F)F

InChI

InChI=1S/C17H19F3N2O/c1-2-11-6-8-12(9-7-11)10-14-15(17(18,19)20)22(21-16(14)23)13-4-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,21,23)