5TB
Summary
| Name: | 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one |
| Formula: | C20 H31 N3 O |
| Formal charge: | 0 |
| Formula weight: | 329.48 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H31N3O/c1-21-15-18-7-10-19(11-8-18)22-13-4-14-23(16-22)20(24)12-9-17-5-2-3-6-17/h7-8,10-11,17,21H,2-6,9,12-16H2,1H3 |
| InChIKey | InChI | 1.03 | FGLHMHLKBALILM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3 |
| SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3 |
