(2S,5aS,8aR)-6-(3-Chlorobenzyl)-1-methyl-2-[3-oxo-3-(1-pyrrolidinyl)propyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one

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Systematic / IUPAC Name: (2S,5aS,8aR)-6-[(3-Chlorophenyl)methyl]-1-methyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one

ID: Reference9336

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, 6-[(3-chlorophenyl)methyl]octahydro-1-methyl-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-, (2S,5aS,8aR)-;
NAT23-390845

Formula: C22H31ClN4O2

Spectral Data

(2S,5aS,8aR)-6-(3-Chlorobenzyl)-1-methyl-2-[3-oxo-3-(1-pyrrolidinyl)propyl]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 1
No. of Spectra 2456
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2020 8:43:39 AM
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Identificators

InChI InChI=1S/C22H31ClN4O2/c1-25-18(7-8-20(28)26-10-2-3-11-26)14-24-22(29)21-19(25)9-12-27(21)15-16-5-4-6-17(23)13-16/h4-6,13,18-19,21H,2-3,7-12,14-15H2,1H3,(H,24,29)/t18-,19+,21-/m0/s1
InChI Key ZZXCDWXLSICIAX-ZVDOUQERSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCCC3)CC4=CC(=CC=C4)Cl
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Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, 6-[(3-chlorophenyl)methyl]octahydro-1-methyl-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-, (2S,5aS,8aR)-;
NAT23-390845

In Other Databases

PubChem 45360868
ChemSpider 21383032