N-({(2R,4S,5R)-5-[1-Methyl-3-(2-naphthyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-1,3-benzodioxole-5-carboxamide

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Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-(2-Methyl-5-naphthalen-2-ylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

ID: Reference9038

Other Names: 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5R)-5-[1-methyl-3-(2-naphthalenyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-338095

Formula: C30H30N4O3

Spectral Data

N-({(2R,4S,5R)-5-[1-Methyl-3-(2-naphthyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-1,3-benzodioxole-5-carboxamide 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 1
No. of Spectra 1019
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/25/2019 11:35:30 AM
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Identificators

InChI InChI=1S/C30H30N4O3/c1-33-27(15-26(32-33)22-7-6-19-4-2-3-5-20(19)12-22)25-17-34-11-10-21(25)13-24(34)16-31-30(35)23-8-9-28-29(14-23)37-18-36-28/h2-9,12,14-15,21,24-25H,10-11,13,16-18H2,1H3,(H,31,35)/t21-,24+,25-/m0/s1
InChI Key WNTJTMBAJQGXDW-GPUOULLFSA-N
Canonical SMILES CN1C(=CC(=N1)C2=CC3=CC=CC=C3C=C2)C4CN5CCC4CC5CNC(=O)C6=CC7=C(C=C6)OCO7
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Other Names 1,3-Benzodioxole-5-carboxamide, N-[[(2R,4S,5R)-5-[1-methyl-3-(2-naphthalenyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-338095

In Other Databases

PubChem 40779459
ChemSpider 21381145