K46
Summary
| Name: | ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide |
| Formula: | C19 H20 F3 N3 O |
| Formal charge: | 0 |
| Formula weight: | 363.377 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H20F3N3O/c1-2-18(26)24-13-10-15-16(23)4-3-5-17(15)25(11-13)14-8-6-12(7-9-14)19(20,21)22/h3-9,13H,2,10-11,23H2,1H3,(H,24,26)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | KKYHBVQKPCAEAI-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N[C@@H]1CN(c2ccc(cc2)C(F)(F)F)c3cccc(N)c3C1 |
| SMILES | CACTVS | 3.385 | CCC(=O)N[CH]1CN(c2ccc(cc2)C(F)(F)F)c3cccc(N)c3C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N[C@H]1Cc2c(cccc2N(C1)c3ccc(cc3)C(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)NC1Cc2c(cccc2N(C1)c3ccc(cc3)C(F)(F)F)N |
