1-Cyclohexyl-3-{[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}urea

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Systematic / IUPAC Name: 1-Cyclohexyl-3-[[(2R,4S,5R)-5-(2-methyl-5-phenylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea

ID: Reference9196

Other Names: Urea, N-cyclohexyl-N'-[[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-332245

Formula: C25H35N5O

Spectral Data

1-Cyclohexyl-3-{[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}urea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 3382
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 10:02:16 AM
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Identificators

InChI InChI=1S/C25H35N5O/c1-29-24(15-23(28-29)18-8-4-2-5-9-18)22-17-30-13-12-19(22)14-21(30)16-26-25(31)27-20-10-6-3-7-11-20/h2,4-5,8-9,15,19-22H,3,6-7,10-14,16-17H2,1H3,(H2,26,27,31)/t19-,21+,22-/m0/s1
InChI Key LRQZDOXBMAHDBC-NNWRFLSQSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CC=C2)C3CN4CCC3CC4CNC(=O)NC5CCCCC5
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Other Names Urea, N-cyclohexyl-N'-[[(2R,4S,5R)-5-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-332245

In Other Databases

ChemSpider 21380800
PubChem 40779205