Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCC3CC3)=O |
InChI | InChI | 1.03 | InChI=1S/C14H18ClN3O3/c15-12-4-3-11(21-12)13(19)17-5-7-18(8-6-17)14(20)16-9-10-1-2-10/h3-4,10H,1-2,5-9H2,(H,16,20) |
InChIKey | InChI | 1.03 | CPSUTTLDJVOMOK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
SMILES | CACTVS | 3.385 | Clc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl |