KQS
Summary
| Name: | (3S)-3-(2-fluorophenyl)-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)butanamide) |
| Formula: | C18 H18 F N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 327.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (3S)-3-(2-fluorophenyl)-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18FN3O2/c1-11(13-4-2-3-5-14(13)19)8-17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-7,9,11H,8,10H2,1H3,(H,20,23)(H2,21,22,24)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | JYQMTEASQYBLAO-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CC(=O)NCc1ccc2NC(=O)Nc2c1)c3ccccc3F |
| SMILES | CACTVS | 3.385 | C[CH](CC(=O)NCc1ccc2NC(=O)Nc2c1)c3ccccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F |
