QMT
Summary
| Name: | 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol |
| Synonyms: | MW278 |
| Formula: | C21 H22 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 362.425 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H22N4O2/c22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)27-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | JOLHNCATQIAQLA-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nnc(cc1N2CCC[C@H](C2)Oc3ccccc3)c4ccccc4O |
| SMILES | CACTVS | 3.385 | Nc1nnc(cc1N2CCC[CH](C2)Oc3ccccc3)c4ccccc4O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)O[C@@H]2CCCN(C2)c3cc(nnc3N)c4ccccc4O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)OC2CCCN(C2)c3cc(nnc3N)c4ccccc4O |
