XI0
Summary
| Name: | 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone |
| Formula: | C18 H19 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 314.809 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19ClN2O/c1-13-8-14(12-20-11-13)9-18(22)21-7-3-6-17(21)15-4-2-5-16(19)10-15/h2,4-5,8,10-12,17H,3,6-7,9H2,1H3/t17-/m0/s1 |
| InChIKey | InChI | 1.06 | KKNJQFHEHQASFG-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cncc(CC(=O)N2CCC[C@H]2c3cccc(Cl)c3)c1 |
| SMILES | CACTVS | 3.385 | Cc1cncc(CC(=O)N2CCC[CH]2c3cccc(Cl)c3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1)CC(=O)N2CCC[C@H]2c3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1)CC(=O)N2CCCC2c3cccc(c3)Cl |
