4-(Dimethylamino)-N-({(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)benzamide

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Systematic / IUPAC Name: 4-(Dimethylamino)-N-[[(2R,4S,5R)-5-(2-methyl-5-thiophen-2-ylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide

ID: Reference10565

Other Names: NAT13-333155

Formula: C25H31N5OS

Spectral Data

4-(Dimethylamino)-N-({(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)benzamide 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 2
No. of Spectra 603
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 6/18/2021 8:40:34 AM
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Identificators

InChI InChI=1S/C25H31N5OS/c1-28(2)19-8-6-17(7-9-19)25(31)26-15-20-13-18-10-11-30(20)16-21(18)23-14-22(27-29(23)3)24-5-4-12-32-24/h4-9,12,14,18,20-21H,10-11,13,15-16H2,1-3H3,(H,26,31)/t18-,20+,21-/m0/s1
InChI Key ASIGHVLQRSMXML-TYPHKJRUSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC=CS2)C3CN4CCC3CC4CNC(=O)C5=CC=C(C=C5)N(C)C
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Other Names NAT13-333155

In Other Databases

ChemSpider 21380908
PubChem 40779367