5T0
Summary
| Name: | 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-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-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H31N3O/c1-21-16-18-4-7-19(8-5-18)22-14-10-17(11-15-22)6-9-20(24)23-12-2-3-13-23/h4-5,7-8,17,21H,2-3,6,9-16H2,1H3 |
| InChIKey | InChI | 1.03 | VOLHWJLFFDGPRY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 |
| SMILES | CACTVS | 3.385 | CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3 |
