3-{(2S,5aS,8aR)-1-Methyl-5-oxo-6-[3-(trifluoromethoxy)benzyl]decahydropyrrolo[3,2-E][1,4]diazepin-2-yl}-N-(3-pyridinylmethyl)propanamide

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Systematic / IUPAC Name: 3-[(2S,5aS,8aR)-1-Methyl-5-oxo-6-[[3-(trifluoromethoxy)phenyl]methyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(pyridin-3-ylmethyl)propanamide

ID: Reference12122

Other Names: NAT23-391025

Formula: C25H30F3N5O3

Spectral Data

3-{(2S,5aS,8aR)-1-Methyl-5-oxo-6-[3-(trifluoromethoxy)benzyl]decahydropyrrolo[3,2-E][1,4]diazepin-2-yl}-N-(3-pyridinylmethyl)propanamide 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 1
No. of Spectra 2060
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/13/2023 8:30:28 AM
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Identificators

InChI InChI=1S/C25H30F3N5O3/c1-32-19(7-8-22(34)30-14-18-5-3-10-29-13-18)15-31-24(35)23-21(32)9-11-33(23)16-17-4-2-6-20(12-17)36-25(26,27)28/h2-6,10,12-13,19,21,23H,7-9,11,14-16H2,1H3,(H,30,34)(H,31,35)/t19-,21+,23-/m0/s1
InChI Key CSTTYTZQQMRTPK-WPYKKVEZSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CN=CC=C3)CC4=CC(=CC=C4)OC(F)(F)F
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Other Names NAT23-391025

In Other Databases

ChemSpider 21383165
PubChem 45361000