1-(4-Methoxyphenyl)-3-({(2R,4S,5R)-5-[1-methyl-3-(2-naphthyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)urea
12079
Reference
1-(4-Methoxyphenyl)-3-({(2R,4S,5R)-5-[1-methyl-3-(2-naphthyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)urea Structure
Systematic / IUPAC Name: 1-(4-Methoxyphenyl)-3-[[(2R,4S,5R)-5-(2-methyl-5-naphthalen-2-ylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
ID: Reference12079
Other Names: NAT13-338137
Formula: C30H33N5O2
Spectral Data
1-(4-Methoxyphenyl)-3-({(2R,4S,5R)-5-[1-methyl-3-(2-naphthyl)-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2210 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/21/2022 7:51:43 AM |
Identificators
| InChI | InChI=1S/C30H33N5O2/c1-34-29(17-28(33-34)23-8-7-20-5-3-4-6-21(20)15-23)27-19-35-14-13-22(27)16-25(35)18-31-30(36)32-24-9-11-26(37-2)12-10-24/h3-12,15,17,22,25,27H,13-14,16,18-19H2,1-2H3,(H2,31,32,36)/t22-,25+,27-/m0/s1 |
| InChI Key | XQQNMXJNPJOGGB-RWUBSVTLSA-N |
| Canonical SMILES | CN1C(=CC(=N1)C2=CC3=CC=CC=C3C=C2)C4CN5CCC4CC5CNC(=O)NC6=CC=C(C=C6)OC |
| CAS | |
| Splash | |
| Other Names | NAT13-338137 |