QXN
Summary
| Name: | 2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide |
| Formula: | C19 H29 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 331.452 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H29N3O2/c1-4-19(5-2,15-23)18(24)20-17-8-6-7-16(13-17)14-22-11-9-21(3)10-12-22/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,20,24) |
| InChIKey | InChI | 1.03 | PBQJLTCTNSPMSB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 |
| SMILES | CACTVS | 3.385 | CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)C |
