(12aR)-8-(4-Chlorophenyl)-2-(phenoxyacetyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione

enlarge

Systematic / IUPAC Name: (4aR)-9-(4-Chlorophenyl)-3-(2-phenoxyacetyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

ID: Reference8787

Other Names: Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(4-chlorophenyl)-1,3,4,12a-tetrahydro-2-(2-phenoxyacetyl)-, (12aR)-;
NAT9-273044

Formula: C26H22ClN3O4

Spectral Data

(12aR)-8-(4-Chlorophenyl)-2-(phenoxyacetyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione 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 1459
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 7/23/2019 10:10:40 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H22ClN3O4/c27-19-9-6-17(7-10-19)18-8-11-22-21(14-18)26(33)30-13-12-29(15-23(30)25(32)28-22)24(31)16-34-20-4-2-1-3-5-20/h1-11,14,23H,12-13,15-16H2,(H,28,32)/t23-/m1/s1
InChI Key LSPZAWBLZHLDKQ-HSZRJFAPSA-N
Canonical SMILES C1CN2C(CN1C(=O)COC3=CC=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=C(C=C5)Cl
CAS
Splash
Other Names Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(4-chlorophenyl)-1,3,4,12a-tetrahydro-2-(2-phenoxyacetyl)-, (12aR)-;
NAT9-273044

In Other Databases

ChemSpider 5484327
PubChem 7142435