(2S,5aS,8aR)-1-Methyl-6-(4-methylbenzyl)-2-[3-(4-morpholinyl)-3-oxopropyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one

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

ID: Reference10280

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-1-methyl-6-[(4-methylphenyl)methyl]-2-[3-(4-morpholinyl)-3-oxopropyl]-, (2S,5aS,8aR)-;
NAT23-391161

Formula: C23H34N4O3

Spectral Data

(2S,5aS,8aR)-1-Methyl-6-(4-methylbenzyl)-2-[3-(4-morpholinyl)-3-oxopropyl]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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2737
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 9:04:52 AM
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Identificators

InChI InChI=1S/C23H34N4O3/c1-17-3-5-18(6-4-17)16-27-10-9-20-22(27)23(29)24-15-19(25(20)2)7-8-21(28)26-11-13-30-14-12-26/h3-6,19-20,22H,7-16H2,1-2H3,(H,24,29)/t19-,20+,22-/m0/s1
InChI Key OQKPYPKZIPBKOD-VWPQPMDRSA-N
Canonical SMILES CC1=CC=C(C=C1)CN2CCC3C2C(=O)NCC(N3C)CCC(=O)N4CCOCC4
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-1-methyl-6-[(4-methylphenyl)methyl]-2-[3-(4-morpholinyl)-3-oxopropyl]-, (2S,5aS,8aR)-;
NAT23-391161

In Other Databases

ChemSpider 21383253
PubChem 45361088