QQN
Summary
| Name: | [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone |
| Formula: | C22 H24 Cl N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 429.897 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H24ClN3O4/c1-13-12-26(7-6-17(13)27)21(28)15-9-18(29-2)20-19(10-15)30-22(25-20)24-11-14-4-3-5-16(23)8-14/h3-5,8-10,13,17,27H,6-7,11-12H2,1-2H3,(H,24,25)/t13-,17-/m1/s1 |
| InChIKey | InChI | 1.03 | KWIHKRFBOTYCIM-CXAGYDPISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc2oc(NCc3cccc(Cl)c3)nc12)C(=O)N4CC[C@@H](O)[C@H](C)C4 |
| SMILES | CACTVS | 3.385 | COc1cc(cc2oc(NCc3cccc(Cl)c3)nc12)C(=O)N4CC[CH](O)[CH](C)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CCC1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl |
