CQ8
Summary
| Name: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide |
| Formula: | C18 H21 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 360.838 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21ClN4O2/c1-20-18(24)13-4-2-3-5-15(13)23-16-10-17(21-11-14(16)19)22-12-6-8-25-9-7-12/h2-5,10-12H,6-9H2,1H3,(H,20,24)(H2,21,22,23) |
| InChIKey | InChI | 1.03 | OYYNQAPQYQZOFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1ccccc1Nc2cc(NC3CCOCC3)ncc2Cl |
| SMILES | CACTVS | 3.385 | CNC(=O)c1ccccc1Nc2cc(NC3CCOCC3)ncc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3 |
