BXL
Summary
| Name: | (3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide |
| Formula: | C20 H23 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 337.416 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide |
| OpenEye OEToolkits | 1.7.0 | (E)-N'-(2-aminophenyl)-N-phenyl-oct-3-enediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1N)CCC/C=C/CC(=O)Nc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccccc1NC(=O)CCC/C=C/CC(=O)Nc2ccccc2 |
| SMILES | CACTVS | 3.370 | Nc1ccccc1NC(=O)CCCC=CCC(=O)Nc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)NC(=O)C/C=C/CCCC(=O)Nc2ccccc2N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)NC(=O)CC=CCCCC(=O)Nc2ccccc2N |
| InChI | InChI | 1.03 | InChI=1S/C20H23N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h1,3-6,8-13H,2,7,14-15,21H2,(H,22,24)(H,23,25)/b6-1+ |
| InChIKey | InChI | 1.03 | WWKBRKDVEBSJBW-LZCJLJQNSA-N |
