(2S,5aS,8aR)-2-[3-(4-Hydroxy-1-piperidinyl)-3-oxopropyl]-1-methyl-6-[4-(trifluoromethyl)benzyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one

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Systematic / IUPAC Name: (2S,5aS,8aR)-2-[3-(4-Hydroxypiperidin-1-yl)-3-oxopropyl]-1-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one

ID: Reference10283

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-2-[3-(4-hydroxy-1-piperidinyl)-3-oxopropyl]-1-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]-, (2S,5aS,8aR)-;
NAT23-391312

Formula: C24H33F3N4O3

Spectral Data

(2S,5aS,8aR)-2-[3-(4-Hydroxy-1-piperidinyl)-3-oxopropyl]-1-methyl-6-[4-(trifluoromethyl)benzyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one 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
No. of Spectral Trees 1
No. of Spectra 1811
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 9:41:46 AM
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Identificators

InChI InChI=1S/C24H33F3N4O3/c1-29-18(6-7-21(33)30-11-8-19(32)9-12-30)14-28-23(34)22-20(29)10-13-31(22)15-16-2-4-17(5-3-16)24(25,26)27/h2-5,18-20,22,32H,6-15H2,1H3,(H,28,34)/t18-,20+,22-/m0/s1
InChI Key XFKBPSQEEVQUBH-DWLFOUALSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCC(CC3)O)CC4=CC=C(C=C4)C(F)(F)F
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-2-[3-(4-hydroxy-1-piperidinyl)-3-oxopropyl]-1-methyl-6-[[4-(trifluoromethyl)phenyl]methyl]-, (2S,5aS,8aR)-;
NAT23-391312

In Other Databases

PubChem 45361204
ChemSpider 21383369