USY
Summary
| Name: | N-[4-(4-fluorophenyl)-4-oxobutyl]guanidine |
| Formula: | C11 H14 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 223.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[4-(4-fluorophenyl)-4-oxobutyl]guanidine |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=N)(\N)NCCCC(c1ccc(F)cc1)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H14FN3O/c12-9-5-3-8(4-6-9)10(16)2-1-7-15-11(13)14/h3-6H,1-2,7H2,(H4,13,14,15) |
| InChIKey | InChI | 1.03 | JGRDPVUWSFRGMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCCC(=O)c1ccc(F)cc1 |
| SMILES | CACTVS | 3.385 | NC(=N)NCCCC(=O)c1ccc(F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NCCCC(=O)c1ccc(cc1)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)CCCNC(=N)N)F |
