EN2
Summary
| Name: | ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide |
| Formula: | C17 H18 F N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 331.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-[(4-fluorophenyl)carbonylamino]propyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H18FN3O3/c1-21-11-13(5-8-15(21)22)17(24)20-10-2-9-19-16(23)12-3-6-14(18)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,19,23)(H,20,24) |
| InChIKey | InChI | 1.03 | UZLNHXVIIXNLFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F |
