Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c3ccc(cc3)C3CCNCC3)c2c1 |
InChI | InChI | 1.06 | InChI=1S/C26H28N6O2/c1-34-23-9-10-24-25(16-23)32(30-29-24)18-26(33)31(17-21-4-2-3-13-28-21)22-7-5-19(6-8-22)20-11-14-27-15-12-20/h2-10,13,16,20,27H,11-12,14-15,17-18H2,1H3 |
InChIKey | InChI | 1.06 | NIAFAWJPFVWDCR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5)c2c1 |
SMILES | CACTVS | 3.385 | COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)n(nn2)CC(=O)N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)n(nn2)CC(=O)N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5 |