A1ESA
Summary
| Name: | Gepirone |
| Formula: | C19 H29 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 359.466 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,4-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3 |
| InChIKey | InChI | 1.06 | QOIGKGMMAGJZNZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CC(=O)N(CCCCN2CCN(CC2)c3ncccn3)C(=O)C1 |
| SMILES | CACTVS | 3.385 | CC1(C)CC(=O)N(CCCCN2CCN(CC2)c3ncccn3)C(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)c3ncccn3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)c3ncccn3)C |
