5TD
Summary
| Name: | 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile |
| Formula: | C19 H25 N3 O |
| Formal charge: | 0 |
| Formula weight: | 311.421 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2 |
| InChIKey | InChI | 1.03 | BLOJSAYUWXASOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)N3CCCC3 |
| SMILES | CACTVS | 3.385 | O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)N3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3 |
