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

Systemtic Name: 1-[(5S)-3-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[(5S)-3-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Formula: C18H23F3N2O4 MolecularWeight: 388.38143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H23F3N2O4/c1-4-5-6-13-11-17(25,18(19,20)21)23(22-13)16(24)10-12-7-8-14(26-2)15(9-12)27-3/h7-9,25H,4-6,10-11H2,1-3H3/t17-/m0/s1