(12aR)-8-(5-Chloro-2-methoxyphenyl)-2-(3,3-dimethylbutanoyl)-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-(5-Chloro-2-methoxyphenyl)-3-(3,3-dimethylbutanoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

ID: Reference8782

Other Names: Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(5-chloro-2-methoxyphenyl)-2-(3,3-dimethyl-1-oxobutyl)-1,3,4,12a-tetrahydro-, (12aR)-;
NAT9-272912

Formula: C25H28ClN3O4

Spectral Data

(12aR)-8-(5-Chloro-2-methoxyphenyl)-2-(3,3-dimethylbutanoyl)-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 1634
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 7/22/2019 11:06:11 AM
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Identificators

InChI InChI=1S/C25H28ClN3O4/c1-25(2,3)13-22(30)28-9-10-29-20(14-28)23(31)27-19-7-5-15(11-18(19)24(29)32)17-12-16(26)6-8-21(17)33-4/h5-8,11-12,20H,9-10,13-14H2,1-4H3,(H,27,31)/t20-/m1/s1
InChI Key VBHLJPIMFMAUSL-HXUWFJFHSA-N
Canonical SMILES CC(C)(C)CC(=O)N1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=C(C=CC(=C4)Cl)OC
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Other Names Pyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione, 8-(5-chloro-2-methoxyphenyl)-2-(3,3-dimethyl-1-oxobutyl)-1,3,4,12a-tetrahydro-, (12aR)-;
NAT9-272912

In Other Databases

PubChem 26763567
ChemSpider 21388988