A1IPJ
Summary
| Name: | 2-[6-[[(3R)-1-ethylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol |
| Formula: | C19 H23 F3 N4 O |
| Formal charge: | 0 |
| Formula weight: | 380.407 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[6-[[(3~{R})-1-ethylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H23F3N4O/c1-3-26-8-4-5-14(11-26)23-17-7-6-15(24-25-17)18-12(2)9-13(10-16(18)27)19(20,21)22/h6-7,9-10,14,27H,3-5,8,11H2,1-2H3,(H,23,25)/t14-/m1/s1 |
| InChIKey | InChI | 1.06 | UVVZGYXCKGWWCC-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCC[C@H](C1)Nc2ccc(nn2)c3c(C)cc(cc3O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCN1CCC[CH](C1)Nc2ccc(nn2)c3c(C)cc(cc3O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1CCC[C@H](C1)Nc2ccc(nn2)c3c(cc(cc3O)C(F)(F)F)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1CCCC(C1)Nc2ccc(nn2)c3c(cc(cc3O)C(F)(F)F)C |
