Systematic / IUPAC Name: 1-[2-(2,4-Dimethoxyphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]triazole-4,5-dicarboxamide
ID: Reference9020
Other Names:
1H-1,2,3-Triazole-4,5-dicarboxamide, 1-[2-(2,4-dimethoxyphenyl)-5,6,6a,7,8,9,10,12-octahydro-6,12-dioxopyrido[2,1-c][1,4]benzodiazepin-8-yl]-;
NAT7-229322
Formula: C25H25N7O6
1-[2-(2,4-Dimethoxyphenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-1H-1,2,3-triazole-4,5-dicarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 553 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 10/17/2019 8:18:36 AM |
InChI | InChI=1S/C25H25N7O6/c1-37-14-4-5-15(19(11-14)38-2)12-3-6-17-16(9-12)25(36)31-8-7-13(10-18(31)24(35)28-17)32-21(23(27)34)20(22(26)33)29-30-32/h3-6,9,11,13,18H,7-8,10H2,1-2H3,(H2,26,33)(H2,27,34)(H,28,35) |
InChI Key | CNHWSUVVFDDOFF-UHFFFAOYSA-N |
Canonical SMILES | COC1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4CC(CCN4C3=O)N5C(=C(N=N5)C(=O)N)C(=O)N)OC |
CAS | |
Splash | |
Other Names |
1H-1,2,3-Triazole-4,5-dicarboxamide, 1-[2-(2,4-dimethoxyphenyl)-5,6,6a,7,8,9,10,12-octahydro-6,12-dioxopyrido[2,1-c][1,4]benzodiazepin-8-yl]-; NAT7-229322 |