2-[8-(4-Chlorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepin-2(1H)-yl]-2-oxoacetamide

enlarge

Systematic / IUPAC Name: 2-[9-(4-Chlorophenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]-2-oxoacetamide

ID: Reference8796

Other Names: Pyrazino[2,1-c][1,4]benzodiazepine-2(1H)-acetamide, 8-(4-chlorophenyl)-3,4,6,11,12,12a-hexahydro-α,6,12-trioxo-;
NAT9-265387

Formula: C20H17ClN4O4

Spectral Data

2-[8-(4-Chlorophenyl)-6,12-dioxo-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepin-2(1H)-yl]-2-oxoacetamide 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1258
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/25/2019 7:47:59 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H17ClN4O4/c21-13-4-1-11(2-5-13)12-3-6-15-14(9-12)19(28)25-8-7-24(20(29)17(22)26)10-16(25)18(27)23-15/h1-6,9,16H,7-8,10H2,(H2,22,26)(H,23,27)
InChI Key JCKFXTALJQYJGR-UHFFFAOYSA-N
Canonical SMILES C1CN2C(CN1C(=O)C(=O)N)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=C(C=C4)Cl
CAS
Splash
Other Names Pyrazino[2,1-c][1,4]benzodiazepine-2(1H)-acetamide, 8-(4-chlorophenyl)-3,4,6,11,12,12a-hexahydro-α,6,12-trioxo-;
NAT9-265387

In Other Databases

PubChem 3730449
ChemSpider 2960888