XHW
Summary
| Name: | (5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone |
| Formula: | C18 H19 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 364.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19Cl2N3O/c19-16-10-15(11-21-12-16)18(24)23-7-3-6-22(8-9-23)13-14-4-1-2-5-17(14)20/h1-2,4-5,10-12H,3,6-9,13H2 |
| InChIKey | InChI | 1.06 | PQQKYBGBGWHEEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cncc(c1)C(=O)N2CCCN(CC2)Cc3ccccc3Cl |
| SMILES | CACTVS | 3.385 | Clc1cncc(c1)C(=O)N2CCCN(CC2)Cc3ccccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CN2CCCN(CC2)C(=O)c3cc(cnc3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CN2CCCN(CC2)C(=O)c3cc(cnc3)Cl)Cl |
