(2S,5aS,8aR)-1-Methyl-2-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-6-(1,2,3-thiadiazol-4-ylmethyl)octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one

enlarge

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

ID: Reference10282

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-1-methyl-2-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-6-(1,2,3-thiadiazol-4-ylmethyl)-, (2S,5aS,8aR)-;
NAT23-391245

Formula: C19H31N7O2S

Spectral Data

(2S,5aS,8aR)-1-Methyl-2-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-6-(1,2,3-thiadiazol-4-ylmethyl)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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 1725
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 9:31:54 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H31N7O2S/c1-23-7-9-25(10-8-23)17(27)4-3-15-11-20-19(28)18-16(24(15)2)5-6-26(18)12-14-13-29-22-21-14/h13,15-16,18H,3-12H2,1-2H3,(H,20,28)/t15-,16+,18-/m0/s1
InChI Key LIWNXRHLRWWHEB-JZXOWHBKSA-N
Canonical SMILES CN1CCN(CC1)C(=O)CCC2CNC(=O)C3C(N2C)CCN3CC4=CSN=N4
CAS
Splash
Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-1-methyl-2-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-6-(1,2,3-thiadiazol-4-ylmethyl)-, (2S,5aS,8aR)-;
NAT23-391245

In Other Databases

PubChem 45361153
ChemSpider 21383318