Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H25N3O3/c1-2-27-21(26)24-11-9-23(10-12-24)20(25)17-8-7-16-13-15-5-3-4-6-18(15)22-19(16)14-17/h7-8,13-14H,2-6,9-12H2,1H3 |
InChIKey | InChI | 1.03 | YMYFCDFYTNCCDJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4CCCCc4nc3c2 |
SMILES | CACTVS | 3.385 | CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4CCCCc4nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4c(nc3c2)CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)N1CCN(CC1)C(=O)c2ccc3cc4c(nc3c2)CCCC4 |