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

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

ID: Reference9144

Other Names: Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5R)-5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-334402

Formula: C25H32N6O

Spectral Data

1-(3-Cyanophenyl)-3-{[(2R,4S,5R)-5-(3-cyclopentyl-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 FAIMS
No. of Spectral Trees 2
No. of Spectra 2485
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2019 12:19:33 PM
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Identificators

InChI InChI=1S/C25H32N6O/c1-30-24(13-23(29-30)18-6-2-3-7-18)22-16-31-10-9-19(22)12-21(31)15-27-25(32)28-20-8-4-5-17(11-20)14-26/h4-5,8,11,13,18-19,21-22H,2-3,6-7,9-10,12,15-16H2,1H3,(H2,27,28,32)/t19-,21+,22-/m0/s1
InChI Key CQBOHWOYWRMCFY-NNWRFLSQSA-N
Canonical SMILES CN1C(=CC(=N1)C2CCCC2)C3CN4CCC3CC4CNC(=O)NC5=CC=CC(=C5)C#N
CAS
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Other Names Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5R)-5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-334402

In Other Databases

ChemSpider 21381060
PubChem 40780140