M79
Summary
| Name: | 2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide |
| Formula: | C18 H26 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 351.871 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H26ClN3O2/c1-18(2,21-15-6-4-3-5-7-15)17(24)22-10-8-14(9-11-22)13-20-16(23)12-19/h3-7,14,21H,8-13H2,1-2H3,(H,20,23) |
| InChIKey | InChI | 1.06 | WCADFXCJTLAGNP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Nc1ccccc1)C(=O)N2CCC(CC2)CNC(=O)CCl |
| SMILES | CACTVS | 3.385 | CC(C)(Nc1ccccc1)C(=O)N2CCC(CC2)CNC(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Nc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)Nc2ccccc2 |
