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

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

ID: Reference9355

Other Names: Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(4-chlorophenyl)-2-(3-fluorobenzoyl)-1,3,4,12a-tetrahydro-, (12aR)-;
NAT9-273014

Formula: C25H19ClFN3O3

Spectral Data

(12aR)-8-(4-Chlorophenyl)-2-(3-fluorobenzoyl)-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2419
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2020 2:24:30 PM
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Identificators

InChI InChI=1S/C25H19ClFN3O3/c26-18-7-4-15(5-8-18)16-6-9-21-20(13-16)25(33)30-11-10-29(14-22(30)23(31)28-21)24(32)17-2-1-3-19(27)12-17/h1-9,12-13,22H,10-11,14H2,(H,28,31)/t22-/m1/s1
InChI Key TYDAKCKOARWBAX-JOCHJYFZSA-N
Canonical SMILES C1CN2C(CN1C(=O)C3=CC(=CC=C3)F)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=C(C=C5)Cl
CAS
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Other Names Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(4-chlorophenyl)-2-(3-fluorobenzoyl)-1,3,4,12a-tetrahydro-, (12aR)-;
NAT9-273014

In Other Databases

PubChem 26763568
ChemSpider 21389001