NJT
Summary
| Name: | 9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one |
| Formula: | C15 H14 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 287.744 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-chloranyl-5-propyl-11~{H}-pyrido[2,3-b][1,4]benzodiazepin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14ClN3O/c1-2-8-19-13-4-3-7-17-14(13)18-12-9-10(16)5-6-11(12)15(19)20/h3-7,9H,2,8H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | QTCZUCSALXBZQR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1C(=O)c2ccc(Cl)cc2Nc3ncccc13 |
| SMILES | CACTVS | 3.385 | CCCN1C(=O)c2ccc(Cl)cc2Nc3ncccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCN1c2cccnc2Nc3cc(ccc3C1=O)Cl |
