OT0
Summary
| Name: | 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
| Synonyms: | RU78299 |
| Formula: | C22 H31 Cl2 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 456.406 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H31Cl2N3O3/c1-15-11-22(12-16(2)30-15,26-19-5-3-18(24)4-6-19)21(29)27-9-7-17(8-10-27)14-25-20(28)13-23/h3-6,15-17,26H,7-14H2,1-2H3,(H,25,28)/t15-,16+,22+ |
| InChIKey | InChI | 1.06 | VYYOGEHPAMZPSQ-BRLLKYFNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@@](C[C@H](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CC[C@@H](CC3)CNC(=O)CCl |
| SMILES | CACTVS | 3.385 | C[CH]1C[C](C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1CC(C[C@@H](O1)C)(C(=O)N2CCC(CC2)CNC(=O)CCl)Nc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CC(CC(O1)C)(C(=O)N2CCC(CC2)CNC(=O)CCl)Nc3ccc(cc3)Cl |
