2-(3,4-dimethoxyphenyl)-1-[(5S)-5-oxidanyl-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[(5S)-5-oxidanyl-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 2-(3,4-dimethoxyphenyl)-1-[(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 1-[(5S)-3-amyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Formula: C19H25F3N2O4 MolecularWeight: 402.40801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H25F3N2O4/c1-4-5-6-7-14-12-18(26,19(20,21)22)24(23-14)17(25)11-13-8-9-15(27-2)16(10-13)28-3/h8-10,26H,4-7,11-12H2,1-3H3/t18-/m0/s1