52D
Summary
| Name: | pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone |
| Formula: | C18 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 296.364 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone |
| OpenEye OEToolkits | 1.5.0 | pyridin-4-yl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccncc1)c3ccc(OCCN2CCCC2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C(c1ccncc1)c2ccc(OCCN3CCCC3)cc2 |
| SMILES | CACTVS | 3.341 | O=C(c1ccncc1)c2ccc(OCCN3CCCC3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C18H20N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10H,1-2,11-14H2 |
| InChIKey | InChI | 1.03 | AFGONOGEOHNVPG-UHFFFAOYSA-N |
