A1AIY
Summary
| Name: | (8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide |
| Formula: | C19 H17 F6 N3 O |
| Formal charge: | 0 |
| Formula weight: | 417.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (8~{R})-8-[4-(trifluoromethyl)phenyl]-~{N}-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]-6,8-dihydro-5~{H}-1,7-naphthyridine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(cc1)C1c2ncccc2CCN1C(=O)NC(C)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C19H17F6N3O/c1-11(18(20,21)22)27-17(29)28-10-8-12-3-2-9-26-15(12)16(28)13-4-6-14(7-5-13)19(23,24)25/h2-7,9,11,16H,8,10H2,1H3,(H,27,29)/t11-,16+/m0/s1 |
| InChIKey | InChI | 1.06 | DDBWYSSPWMXBIY-MEDUHNTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)N1CCc2cccnc2[C@H]1c3ccc(cc3)C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)N1CCc2cccnc2[CH]1c3ccc(cc3)C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(F)(F)F)NC(=O)N1CCc2cccnc2[C@H]1c3ccc(cc3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(F)(F)F)NC(=O)N1CCc2cccnc2C1c3ccc(cc3)C(F)(F)F |
