XEB
Summary
| Name: | 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine |
| Formula: | C18 H18 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 327.808 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22) |
| InChIKey | InChI | 1.03 | SVDORCPNIHFYFA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl |
| SMILES | CACTVS | 3.385 | CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N |
