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1-[4-cyclohexyl-5-(1H-indol-3-yl)-1-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
SpectraBase Compound ID 1pHWpFjL9EV
InChI InChI=1S/C25H28N4O/c1-17-12-14-20(15-13-17)29-25(22-16-26-23-11-7-6-10-21(22)23)28(24(27-29)18(2)30)19-8-4-3-5-9-19/h6-7,10-16,19,25-26H,3-5,8-9H2,1-2H3
InChIKey MXKDVRWNBFYCCM-UHFFFAOYSA-N
Mol Weight 400.53 g/mol
Molecular Formula C25H28N4O
Exact Mass 400.226312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqEnarTnDfR
Name 1-[4-cyclohexyl-5-(1H-indol-3-yl)-1-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Alternate Name(s) 1-[4-cyclohexyl-3-(1H-indol-3-yl)-2-(4-methylphenyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[4-cyclohexyl-3-(1H-indol-3-yl)-2-(p-tolyl)-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N4O
InChI InChI=1S/C25H28N4O/c1-17-12-14-20(15-13-17)29-25(22-16-26-23-11-7-6-10-21(22)23)28(24(27-29)18(2)30)19-8-4-3-5-9-19/h6-7,10-16,19,25-26H,3-5,8-9H2,1-2H3
InChIKey MXKDVRWNBFYCCM-UHFFFAOYSA-N
Molecular Weight 400.526 g/mol
SMILES [nH]1c2c(c(c1)C1N(C(=NN1c1ccc(cc1)C)C(=O)C)C1CCCCC1)cccc2
SPLASH splash10-05nf-9633100000-53e3859fdf5905a42e81
Wiley ID 1457921