A1JHU
Summary
| Name: | ~{N}-[4-[(~{E})-[2-[(2~{S})-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]diazenyl]phenyl]ethanamide |
| Formula: | C20 H26 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 370.445 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[(~{E})-[2-[(2~{S})-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]diazenyl]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H26N4O3/c1-14(2)21-12-18(26)13-27-20-7-5-4-6-19(20)24-23-17-10-8-16(9-11-17)22-15(3)25/h4-11,14,18,21,26H,12-13H2,1-3H3,(H,22,25)/b24-23+/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | RQBHBLJWXRRJKV-FTGFMQHASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC[C@H](O)COc1ccccc1N=Nc2ccc(NC(C)=O)cc2 |
| SMILES | CACTVS | 3.385 | CC(C)NC[CH](O)COc1ccccc1N=Nc2ccc(NC(C)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)NC[C@@H](COc1ccccc1/N=N/c2ccc(cc2)NC(=O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NCC(COc1ccccc1N=Nc2ccc(cc2)NC(=O)C)O |
