Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N2(CCN(C(=O)c1ccco1)CC2)C(NCC3CC3)=O |
InChI | InChI | 1.03 | InChI=1S/C14H19N3O3/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19) |
InChIKey | InChI | 1.03 | KHMAPHOYZCFNLO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCC1CC1)N2CCN(CC2)C(=O)c3occc3 |
SMILES | CACTVS | 3.385 | O=C(NCC1CC1)N2CCN(CC2)C(=O)c3occc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |