UJU
Summary
| Name: | 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide |
| Synonyms: | Ralmitaront |
| Formula: | C17 H22 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 314.382 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H22N4O2/c1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15/h4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | XHHXGKRFUPEPFM-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1[nH]nc(C(=O)Nc2ccc(cc2)[C@H]3CNCCO3)c1C |
| SMILES | CACTVS | 3.385 | CCc1[nH]nc(C(=O)Nc2ccc(cc2)[CH]3CNCCO3)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)[C@H]3CNCCO3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)C3CNCCO3)C |
