1-Allyl-3-[(6aS,8S)-2-(4-chlorophenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]urea
12515
Reference
1-Allyl-3-[(6aS,8S)-2-(4-chlorophenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]urea Structure
Systematic / IUPAC Name: 1-[(6aS,8S)-2-(4-Chlorophenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]-3-prop-2-enylurea
ID: Reference12515
Other Names: NAT7-330168
Formula: C23H23ClN4O3
Spectral Data
1-Allyl-3-[(6aS,8S)-2-(4-chlorophenyl)-6,12-dioxo-5,6,6a,7,8,9,10,12-octahydropyrido[2,1-c][1,4]benzodiazepin-8-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 | 1883 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/15/2023 8:26:51 AM |
Identificators
| InChI | InChI=1S/C23H23ClN4O3/c1-2-10-25-23(31)26-17-9-11-28-20(13-17)21(29)27-19-8-5-15(12-18(19)22(28)30)14-3-6-16(24)7-4-14/h2-8,12,17,20H,1,9-11,13H2,(H,27,29)(H2,25,26,31)/t17-,20-/m0/s1 |
| InChI Key | PXZXRMWEHLWBAW-PXNSSMCTSA-N |
| Canonical SMILES | C=CCNC(=O)NC1CCN2C(C1)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=C(C=C4)Cl |
| CAS | |
| Splash | |
| Other Names | NAT7-330168 |