MVU
Summary
| Name: | 2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide |
| Formula: | C21 H30 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 391.935 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H31N3O2/c1-17(25)22-16-18-10-14-24(15-11-18)20(26)21(12-6-3-7-13-21)23-19-8-4-2-5-9-19/h2,4-5,8-9,18,23H,3,6-7,10-16H2,1H3,(H,22,25) |
| InChIKey | InChI | 1.06 | QDHGMONVRNGGRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccccc3 |
| SMILES | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)NC2(CCCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)NC2(CCCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl |
