Systematic / IUPAC Name: 1-[4-(4-Fluorophenyl)piperazin-1-yl]-2-[(3R,4S)-3-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
ID: Reference9488
Other Names:
Ethanone, 1-[4-(4-fluorophenyl)-1-piperazinyl]-2-[(3R,4S)-3-[[5-(1-piperidinylmethyl)-3-isoxazolyl]methyl]-4-piperidinyl]-;
NAT14-350586
Formula: C27H38FN5O2
1-[4-(4-Fluorophenyl)-1-piperazinyl]-2-[(3R,4S)-3-{[5-(1-piperidinylmethyl)-1,2-oxazol-3-yl]methyl}-4-piperidinyl]ethanone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 645 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 3/16/2020 1:02:16 PM |
InChI | InChI=1S/C27H38FN5O2/c28-23-4-6-25(7-5-23)32-12-14-33(15-13-32)27(34)17-21-8-9-29-19-22(21)16-24-18-26(35-30-24)20-31-10-2-1-3-11-31/h4-7,18,21-22,29H,1-3,8-17,19-20H2/t21-,22-/m0/s1 |
InChI Key | OASBANZQZZDRET-VXKWHMMOSA-N |
Canonical SMILES | C1CCN(CC1)CC2=CC(=NO2)CC3CNCCC3CC(=O)N4CCN(CC4)C5=CC=C(C=C5)F |
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Other Names |
Ethanone, 1-[4-(4-fluorophenyl)-1-piperazinyl]-2-[(3R,4S)-3-[[5-(1-piperidinylmethyl)-3-isoxazolyl]methyl]-4-piperidinyl]-; NAT14-350586 |