1-[3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-1-butanone IUPAC Name: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-4-phenyl-butan-1-one Formula: C18H23F3N2O2 MolecularWeight: 356.38263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C18H23F3N2O2/c1-2-3-11-15-13-17(25,18(19,20)21)23(22-15)16(24)12-7-10-14-8-5-4-6-9-14/h4-6,8-9,25H,2-3,7,10-13H2,1H3