EC3
Summary
| Name: | 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one |
| Formula: | C14 H13 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.718 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13ClN2O2/c15-11-7-9(8-17-6-2-4-12(17)18)14(19)13-10(11)3-1-5-16-13/h1,3,5,7,19H,2,4,6,8H2 |
| InChIKey | InChI | 1.03 | YWICHOLVOTVAMW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(CN2CCCC2=O)cc(Cl)c3cccnc13 |
| SMILES | CACTVS | 3.385 | Oc1c(CN2CCCC2=O)cc(Cl)c3cccnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(c(c2nc1)O)CN3CCCC3=O)Cl |
