N-[(1S,11aS)-7-(2,4-Dimethoxyphenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-pyrazinecarboxamide

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Systematic / IUPAC Name: N-[(6aS,7S)-2-(2,4-Dimethoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]pyrazine-2-carboxamide

ID: Reference8942

Other Names: 2-Pyrazinecarboxamide, N-[(1S,11aS)-7-(2,4-dimethoxyphenyl)-2,3,5,10,11,11a-hexahydro-5,11-dioxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-;
NAT3-211086

Formula: C25H23N5O5

Spectral Data

N-[(1S,11aS)-7-(2,4-Dimethoxyphenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-pyrazinecarboxamide 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 2157
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers FT
Last Modification 9/20/2019 6:35:59 AM
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Identificators

InChI InChI=1S/C25H23N5O5/c1-34-15-4-5-16(21(12-15)35-2)14-3-6-18-17(11-14)25(33)30-10-7-19(22(30)24(32)28-18)29-23(31)20-13-26-8-9-27-20/h3-6,8-9,11-13,19,22H,7,10H2,1-2H3,(H,28,32)(H,29,31)/t19-,22-/m0/s1
InChI Key DCWYSNQSEPATDG-UGKGYDQZSA-N
Canonical SMILES COC1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4C(CCN4C3=O)NC(=O)C5=NC=CN=C5)OC
CAS
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Other Names 2-Pyrazinecarboxamide, N-[(1S,11aS)-7-(2,4-dimethoxyphenyl)-2,3,5,10,11,11a-hexahydro-5,11-dioxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-;
NAT3-211086

In Other Databases

ChemSpider 10115699
PubChem 11941380