Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(CC1CCC(CC1)N5c4c3nc(c2cc(c(O)c(Cl)c2)Cl)ccc3ncc4CN(C5=O)C)C |
InChI | InChI | 1.03 | InChI=1S/C26H29Cl2N5O2/c1-31(2)13-15-4-6-18(7-5-15)33-24-17(14-32(3)26(33)35)12-29-22-9-8-21(30-23(22)24)16-10-19(27)25(34)20(28)11-16/h8-12,15,18,34H,4-7,13-14H2,1-3H3/t15-,18- |
InChIKey | InChI | 1.03 | HHDFQGMZNYJMHI-RZDIXWSQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C[C@H]1CC[C@@H](CC1)N2C(=O)N(C)Cc3cnc4ccc(nc4c23)c5cc(Cl)c(O)c(Cl)c5 |
SMILES | CACTVS | 3.385 | CN(C)C[CH]1CC[CH](CC1)N2C(=O)N(C)Cc3cnc4ccc(nc4c23)c5cc(Cl)c(O)c(Cl)c5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1Cc2cnc3ccc(nc3c2N(C1=O)C4CCC(CC4)CN(C)C)c5cc(c(c(c5)Cl)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1Cc2cnc3ccc(nc3c2N(C1=O)C4CCC(CC4)CN(C)C)c5cc(c(c(c5)Cl)O)Cl |