NK6
Summary
| Name: | N-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
| Formula: | C21 H30 Cl2 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 441.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H30Cl2N4O2/c22-13-19(28)25-14-15-7-11-27(12-8-15)20(29)21(9-5-17(24)6-10-21)26-18-3-1-16(23)2-4-18/h1-4,15,17,26H,5-14,24H2,(H,25,28)/t17-,21- |
| InChIKey | InChI | 1.06 | SCBXDYBWLTUMQQ-CYWCHRQTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CC[C@@](CC1)(Nc2ccc(Cl)cc2)C(=O)N3CC[C@H](CC3)CNC(=O)CCl |
| SMILES | CACTVS | 3.385 | N[CH]1CC[C](CC1)(Nc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl |
