Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CN(CCN1C(c2ccc(cc2)Cn3c(cc(n3)C)C)=O)CC |
InChI | InChI | 1.03 | InChI=1S/C19H26N4O/c1-4-21-9-11-22(12-10-21)19(24)18-7-5-17(6-8-18)14-23-16(3)13-15(2)20-23/h5-8,13H,4,9-12,14H2,1-3H3 |
InChIKey | InChI | 1.03 | XFIDMUXINICVOV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCN(CC1)C(=O)c2ccc(Cn3nc(C)cc3C)cc2 |
SMILES | CACTVS | 3.385 | CCN1CCN(CC1)C(=O)c2ccc(Cn3nc(C)cc3C)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C)C |