2-[5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxidanylidene-N-phenethyl-ethanamide

Systemtic Name: 2-[5-butyl-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxidanylidene-N-phenethyl-ethanamide Openeye Name: 2-[5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxo-N-phenethyl-acetamide CAS Name: 2-[5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxo-N-phenethylacetamide IUPAC Name: 2-[5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxo-N-phenethylacetamide Traditional Name: 2-[3-butyl-5-hydroxy-5-(trifluoromethyl)-3-pyrazolin-1-yl]-2-keto-N-phenethyl-acetamide Formula: C18H22F3N3O3 MolecularWeight: 385.38079

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(N(N1)C(=O)C(=O)NCCC2=CC=CC=C2)(C(F)(F)F)O

Isomeric SMILES

CCCCC1=CC(N(N1)C(=O)C(=O)NCCC2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C18H22F3N3O3/c1-2-3-9-14-12-17(27,18(19,20)21)24(23-14)16(26)15(25)22-11-10-13-7-5-4-6-8-13/h4-8,12,23,27H,2-3,9-11H2,1H3,(H,22,25)