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

Systemtic Name: 4-[(4-hexylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-hexylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-hexylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-hexylphenyl)methyl]-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(4-hexylbenzyl)-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C17H21F3N2O MolecularWeight: 326.35665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CC2=C(NNC2=O)C(F)(F)F

InChI

InChI=1S/C17H21F3N2O/c1-2-3-4-5-6-12-7-9-13(10-8-12)11-14-15(17(18,19)20)21-22-16(14)23/h7-10H,2-6,11H2,1H3,(H2,21,22,23)