A1H07
Summary
| Name: | ~{N}-[[(4~{R})-4-cyclopropyl-2,5-bis(oxidanylidene)imidazolidin-4-yl]methyl]-2-(3-fluorophenyl)-1,2,3-triazole-4-carboxamide |
| Formula: | C16 H15 F N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 358.327 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[(4~{R})-4-cyclopropyl-2,5-bis(oxidanylidene)imidazolidin-4-yl]methyl]-2-(3-fluorophenyl)-1,2,3-triazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15FN6O3/c17-10-2-1-3-11(6-10)23-19-7-12(22-23)13(24)18-8-16(9-4-5-9)14(25)20-15(26)21-16/h1-3,6-7,9H,4-5,8H2,(H,18,24)(H2,20,21,25,26)/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | ISBGRIYURXSYTK-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)n2ncc(n2)C(=O)NC[C@]3(NC(=O)NC3=O)C4CC4 |
| SMILES | CACTVS | 3.385 | Fc1cccc(c1)n2ncc(n2)C(=O)NC[C]3(NC(=O)NC3=O)C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)n2ncc(n2)C(=O)NC[C@@]3(C(=O)NC(=O)N3)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)n2ncc(n2)C(=O)NCC3(C(=O)NC(=O)N3)C4CC4 |
