TUT
Summary
| Name: | 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide |
| Formula: | C21 H24 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 401.887 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H24ClN3O3/c1-27-17-4-2-3-14(11-17)12-20(23)25-21(26)18-13-15(22)5-6-19(18)28-16-7-9-24-10-8-16/h2-6,11,13,16,24H,7-10,12H2,1H3,(H2,23,25,26) |
| InChIKey | InChI | 1.03 | ASGVJWYYPPACHP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2OC3CCNCC3)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2OC3CCNCC3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)CC(=N)NC(=O)c2cc(ccc2OC3CCNCC3)Cl |
