(2S,5aS,8aR)-6-Benzyl-1-methyl-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)-6-Benzyl-1-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: Reference10279

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]-6-(phenylmethyl)-, (2S,5aS,8aR)-;
NAT23-391152

Formula: C22H32N4O3

Spectral Data

(2S,5aS,8aR)-6-Benzyl-1-methyl-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 2838
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 8:49:03 AM
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Identificators

InChI InChI=1S/C22H32N4O3/c1-24-18(7-8-20(27)25-11-13-29-14-12-25)15-23-22(28)21-19(24)9-10-26(21)16-17-5-3-2-4-6-17/h2-6,18-19,21H,7-16H2,1H3,(H,23,28)/t18-,19+,21-/m0/s1
InChI Key SYGBHSYWYLQIMT-ZVDOUQERSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCOCC3)CC4=CC=CC=C4
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-1-methyl-2-[3-(4-morpholinyl)-3-oxopropyl]-6-(phenylmethyl)-, (2S,5aS,8aR)-;
NAT23-391152

In Other Databases

PubChem 45361080
ChemSpider 21383245