4-{[(1R,9S)-6-Oxo-3-(3-pyridinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzonitrile
13224
Reference
4-{[(1R,9S)-6-Oxo-3-(3-pyridinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzonitrile Structure
Systematic / IUPAC Name: 4-[(1R,9S)-6-Oxo-3-pyridin-3-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]benzonitrile
ID: Reference13224
Other Names: NAT11-288570
Formula: C24H20N4O2
Spectral Data
4-{[(1R,9S)-6-Oxo-3-(3-pyridinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 745 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/19/2024 7:50:03 AM |
Identificators
| InChI | InChI=1S/C24H20N4O2/c25-11-16-3-5-18(6-4-16)24(30)27-13-17-10-20(15-27)23-21(19-2-1-9-26-12-19)7-8-22(29)28(23)14-17/h1-9,12,17,20H,10,13-15H2/t17-,20+/m0/s1 |
| InChI Key | YKPOTGGRJQQYFV-FXAWDEMLSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CN=CC=C4)C(=O)C5=CC=C(C=C5)C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-288570 |