A1EJW
Summary
| Name: | 3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one |
| Formula: | C15 H12 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 301.728 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1~{H}-1,5-naphthyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H12ClN3O2/c1-7-2-3-9(20)5-10(7)12-13(17)15(21)19-11-4-8(16)6-18-14(11)12/h2-6,20H,17H2,1H3,(H,19,21) |
| InChIKey | InChI | 1.06 | HOEBQLINEIJNTI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O)cc1C2=C(N)C(=O)Nc3cc(Cl)cnc23 |
| SMILES | CACTVS | 3.385 | Cc1ccc(O)cc1C2=C(N)C(=O)Nc3cc(Cl)cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C2=C(C(=O)Nc3c2ncc(c3)Cl)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C2=C(C(=O)Nc3c2ncc(c3)Cl)N)O |
