5SB
Summary
| Name: | ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide |
| Formula: | C14 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 252.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O/c1-9(19)18-13-5-4-11(10-7-16-17-8-10)12-3-2-6-15-14(12)13/h2-8H,1H3,(H,16,17)(H,18,19) |
| InChIKey | InChI | 1.03 | QUBRUQFHLRIPBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(c2c[nH]nc2)c3cccnc13 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(c2c[nH]nc2)c3cccnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3 |
