N-Benzyl-3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide

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

ID: Reference10277

Other Names: Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxo-N-(phenylmethyl)-, (2S,5aS,8aR)-;
NAT23-390946

Formula: C22H30N6O2

Spectral Data

N-Benzyl-3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]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 2
No. of Spectra 3753
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 8:26:55 AM
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Identificators

InChI InChI=1S/C22H30N6O2/c1-27-17(7-8-20(29)25-13-16-5-3-2-4-6-16)14-26-22(30)21-18(27)9-12-28(21)15-19-23-10-11-24-19/h2-6,10-11,17-18,21H,7-9,12-15H2,1H3,(H,23,24)(H,25,29)(H,26,30)/t17-,18+,21-/m0/s1
InChI Key JCDGJSWLIWZPEN-UEXGIBASSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=CC=C3)CC4=NC=CN4
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxo-N-(phenylmethyl)-, (2S,5aS,8aR)-;
NAT23-390946

In Other Databases

PubChem 45360959
ChemSpider 21383123