A1I6B
Summary
| Name: | ~{N}-[3-fluoranyl-5-(5-methylfuran-2-yl)phenyl]-4-methyl-piperidine-1-carboximidamide |
| Formula: | C18 H22 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 315.385 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-fluoranyl-5-(5-methylfuran-2-yl)phenyl]-4-methyl-piperidine-1-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H22FN3O/c1-12-5-7-22(8-6-12)18(20)21-16-10-14(9-15(19)11-16)17-4-3-13(2)23-17/h3-4,9-12H,5-8H2,1-2H3,(H2,20,21) |
| InChIKey | InChI | 1.06 | IUYWNOVDYFRGTC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1CCN(CC1)C(=N)Nc2cc(F)cc(c2)c3oc(C)cc3 |
| SMILES | CACTVS | 3.385 | CC1CCN(CC1)C(=N)Nc2cc(F)cc(c2)c3oc(C)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\Nc1cc(cc(c1)F)c2ccc(o2)C)/N3CCC(CC3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)c2cc(cc(c2)F)NC(=N)N3CCC(CC3)C |
