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

enlarge

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

ID: Reference9058

Other Names: Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5R)-5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-333682

Formula: C26H34N6O

Spectral Data

1-(3-Cyanophenyl)-3-{[(2R,4S,5R)-5-(3-cyclohexyl-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 2290
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2019 11:09:14 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H34N6O/c1-31-25(14-24(30-31)19-7-3-2-4-8-19)23-17-32-11-10-20(23)13-22(32)16-28-26(33)29-21-9-5-6-18(12-21)15-27/h5-6,9,12,14,19-20,22-23H,2-4,7-8,10-11,13,16-17H2,1H3,(H2,28,29,33)/t20-,22+,23-/m0/s1
InChI Key UTXNBBGSQOOZMT-WWNPGLIZSA-N
Canonical SMILES CN1C(=CC(=N1)C2CCCCC2)C3CN4CCC3CC4CNC(=O)NC5=CC=CC(=C5)C#N
CAS
Splash
Other Names Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5R)-5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-333682

In Other Databases

ChemSpider 21380994
PubChem 40780092