3-[(2S,5aS,8aR)-1-Methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(3-pyridinylmethyl)propanamide

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Systematic / IUPAC Name: 3-[(2S,5aS,8aR)-1-Methyl-5-oxo-2,3,4,5a,6,7,8,8a-octahydropyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(pyridin-3-ylmethyl)propanamide

ID: Reference9347

Other Names: Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-1-methyl-5-oxo-N-(3-pyridinylmethyl)-, (2S,5aS,8aR)-;
NAT23-391012

Formula: C17H25N5O2

Spectral Data

3-[(2S,5aS,8aR)-1-Methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(3-pyridinylmethyl)propanamide 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 1371
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2020 2:13:44 PM
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Identificators

InChI InChI=1S/C17H25N5O2/c1-22-13(11-21-17(24)16-14(22)6-8-19-16)4-5-15(23)20-10-12-3-2-7-18-9-12/h2-3,7,9,13-14,16,19H,4-6,8,10-11H2,1H3,(H,20,23)(H,21,24)/t13-,14+,16-/m0/s1
InChI Key OKJNWKZAXIUNQZ-LZWOXQAQSA-N
Canonical SMILES CN1C2CCNC2C(=O)NCC1CCC(=O)NCC3=CN=CC=C3
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-1-methyl-5-oxo-N-(3-pyridinylmethyl)-, (2S,5aS,8aR)-;
NAT23-391012

In Other Databases

ChemSpider 21383156
PubChem 45360991