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

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

ID: Reference9369

Other Names: Urea, N-[[(2R,4S,5R)-5-[3-(2-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(phenylmethyl)-;
NAT13-333441

Formula: C27H33N5O2

Spectral Data

1-Benzyl-3-({(2R,4S,5R)-5-[3-(2-methoxyphenyl)-1-methyl-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
No. of Spectral Trees 1
No. of Spectra 1078
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/14/2020 10:48:36 AM
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Identificators

InChI InChI=1S/C27H33N5O2/c1-31-25(15-24(30-31)22-10-6-7-11-26(22)34-2)23-18-32-13-12-20(23)14-21(32)17-29-27(33)28-16-19-8-4-3-5-9-19/h3-11,15,20-21,23H,12-14,16-18H2,1-2H3,(H2,28,29,33)/t20-,21+,23-/m0/s1
InChI Key FTMAOGIILCFVST-XJUOHMSHSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CC=C2OC)C3CN4CCC3CC4CNC(=O)NCC5=CC=CC=C5
CAS
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Other Names Urea, N-[[(2R,4S,5R)-5-[3-(2-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(phenylmethyl)-;
NAT13-333441

In Other Databases

ChemSpider 21380960
PubChem 26742334