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

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

ID: Reference9062

Other Names: Urea, N-[[(2R,4S,5R)-5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(4-methoxyphenyl)-;
NAT13-334407

Formula: C25H35N5O2

Spectral Data

1-{[(2R,4S,5R)-5-(3-Cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-(4-methoxyphenyl)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 2736
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2019 11:21:16 AM
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Identificators

InChI InChI=1S/C25H35N5O2/c1-29-24(14-23(28-29)17-5-3-4-6-17)22-16-30-12-11-18(22)13-20(30)15-26-25(31)27-19-7-9-21(32-2)10-8-19/h7-10,14,17-18,20,22H,3-6,11-13,15-16H2,1-2H3,(H2,26,27,31)/t18-,20+,22-/m0/s1
InChI Key IQNXPXKOLWRBLF-DWLFOUALSA-N
Canonical SMILES CN1C(=CC(=N1)C2CCCC2)C3CN4CCC3CC4CNC(=O)NC5=CC=C(C=C5)OC
CAS
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Other Names Urea, N-[[(2R,4S,5R)-5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(4-methoxyphenyl)-;
NAT13-334407

In Other Databases

PubChem 40780142
ChemSpider 21381061