Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCC)c3ccc(OCCCC2CCN(c1nnc(cc1)C)CC2)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)c1ccc(OCCCC2CCN(CC2)c3ccc(C)nn3)cc1 |
SMILES | CACTVS | 3.341 | CCOC(=O)c1ccc(OCCCC2CCN(CC2)c3ccc(C)nn3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1ccc(cc1)OCCCC2CCN(CC2)c3ccc(nn3)C |
InChI | InChI | 1.03 | InChI=1S/C22H29N3O3/c1-3-27-22(26)19-7-9-20(10-8-19)28-16-4-5-18-12-14-25(15-13-18)21-11-6-17(2)23-24-21/h6-11,18H,3-5,12-16H2,1-2H3 |
InChIKey | InChI | 1.03 | UEIUDEUUVLYRFV-UHFFFAOYSA-N |