1-(3-Cyanophenyl)-3-{(1R,9S)-11-[(1-methyl-1H-indol-3-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}urea
12957
Reference
1-(3-Cyanophenyl)-3-{(1R,9S)-11-[(1-methyl-1H-indol-3-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}urea Structure
Systematic / IUPAC Name: 1-(3-Cyanophenyl)-3-[(1R,9S)-11-[(1-methylindol-3-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
ID: Reference12957
Other Names: NAT11-303862
Formula: C29H28N6O2
Spectral Data
1-(3-Cyanophenyl)-3-{(1R,9S)-11-[(1-methyl-1H-indol-3-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl}urea 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 | 975 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/5/2024 10:27:54 AM |
Identificators
| InChI | InChI=1S/C29H28N6O2/c1-33-16-22(24-7-2-3-8-27(24)33)18-34-14-20-11-21(17-34)26-10-9-25(28(36)35(26)15-20)32-29(37)31-23-6-4-5-19(12-23)13-30/h2-10,12,16,20-21H,11,14-15,17-18H2,1H3,(H2,31,32,37)/t20-,21+/m0/s1 |
| InChI Key | VHFOMFCEHOCODL-LEWJYISDSA-N |
| Canonical SMILES | CN1C=C(C2=CC=CC=C21)CN3CC4CC(C3)C5=CC=C(C(=O)N5C4)NC(=O)NC6=CC=CC(=C6)C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-303862 |