(12aS)-6,12-Dioxo-N-propyl-8-[3-(trifluoromethyl)phenyl]-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxamide

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Systematic / IUPAC Name: (4aS)-5,11-Dioxo-N-propyl-9-[3-(trifluoromethyl)phenyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-3-carboxamide

ID: Reference12324

Other Names: NAT9-265417

Formula: C23H23F3N4O3

Spectral Data

(12aS)-6,12-Dioxo-N-propyl-8-[3-(trifluoromethyl)phenyl]-3,4,6,11,12,12a-hexahydropyrazino[2,1-c][1,4]benzodiazepine-2(1H)-carboxamide 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 1
No. of Spectra 1085
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/3/2023 8:32:52 AM
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Identificators

InChI InChI=1S/C23H23F3N4O3/c1-2-8-27-22(33)29-9-10-30-19(13-29)20(31)28-18-7-6-15(12-17(18)21(30)32)14-4-3-5-16(11-14)23(24,25)26/h3-7,11-12,19H,2,8-10,13H2,1H3,(H,27,33)(H,28,31)/t19-/m0/s1
InChI Key IOCHAUZOUOAUIZ-IBGZPJMESA-N
Canonical SMILES CCCNC(=O)N1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F
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Other Names NAT9-265417

In Other Databases

PubChem 7135513
ChemSpider 5478075