2-(3,3-Dimethylbutanoyl)-8-[3-(trifluoromethyl)phenyl]-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione

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

ID: Reference8978

Other Names: Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 2-(3,3-dimethyl-1-oxobutyl)-1,3,4,12a-tetrahydro-8-[3-(trifluoromethyl)phenyl]-;
NAT9-272913

Formula: C25H26F3N3O3

Spectral Data

2-(3,3-Dimethylbutanoyl)-8-[3-(trifluoromethyl)phenyl]-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 2111
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2019 11:19:26 AM
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Identificators

InChI InChI=1S/C25H26F3N3O3/c1-24(2,3)13-21(32)30-9-10-31-20(14-30)22(33)29-19-8-7-16(12-18(19)23(31)34)15-5-4-6-17(11-15)25(26,27)28/h4-8,11-12,20H,9-10,13-14H2,1-3H3,(H,29,33)
InChI Key OAEGPHJDOKWPOT-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)CC(=O)N1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F
CAS
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Other Names Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 2-(3,3-dimethyl-1-oxobutyl)-1,3,4,12a-tetrahydro-8-[3-(trifluoromethyl)phenyl]-;
NAT9-272913

In Other Databases

PubChem 3731903
ChemSpider 2962285