Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cnn(C)c1C(=O)NC1Cc2nc(cn2CC1)c1ccccc1)N1CCC1 |
InChI | InChI | 1.03 | InChI=1S/C22H24N6O2/c1-26-20(17(13-23-26)22(30)27-9-5-10-27)21(29)24-16-8-11-28-14-18(25-19(28)12-16)15-6-3-2-4-7-15/h2-4,6-7,13-14,16H,5,8-12H2,1H3,(H,24,29)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | PYCDRSOLEDQJEN-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)N[C@@H]3CCn4cc(nc4C3)c5ccccc5 |
SMILES | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)N[CH]3CCn4cc(nc4C3)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCC2)C(=O)N[C@@H]3CCn4cc(nc4C3)c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(c(cn1)C(=O)N2CCC2)C(=O)NC3CCn4cc(nc4C3)c5ccccc5 |