80X
Summary
| Name: | N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide |
| Formula: | C14 H16 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 309.748 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chlorophenyl)-2-[(2~{R})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16ClN3O3/c1-9(19)18-6-5-16-14(21)12(18)8-13(20)17-11-4-2-3-10(15)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,20)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | VFCHONURCHBPEO-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCNC(=O)[CH]1CC(=O)Nc2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCNC(=O)C1CC(=O)Nc2cccc(c2)Cl |
