A1H99
Summary
| Name: | 4-ethanoyl-~{N}-[(1~{S},2~{R})-2-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]cyclohexyl]-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide |
| Formula: | C18 H25 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 359.423 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-ethanoyl-~{N}-[(1~{S},2~{R})-2-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]cyclohexyl]-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H25N5O3/c1-10-16(12(3)25)11(2)19-17(10)18(26)20-14-6-4-5-7-15(14)23-8-13(9-24)21-22-23/h8,14-15,19,24H,4-7,9H2,1-3H3,(H,20,26)/t14-,15+/m0/s1 |
| InChIKey | InChI | 1.06 | TYCFYSXFDXDPGP-LSDHHAIUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@H]2n3cc(CO)nn3)c1C |
| SMILES | CACTVS | 3.385 | CC(=O)c1c(C)[nH]c(C(=O)N[CH]2CCCC[CH]2n3cc(CO)nn3)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c([nH]c1C(=O)N[C@H]2CCCC[C@H]2n3cc(nn3)CO)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c([nH]c1C(=O)NC2CCCCC2n3cc(nn3)CO)C)C(=O)C |
