Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN(C)C)CC3)cc(Cl)c4O |
InChI | InChI | 1.03 | InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17- |
InChIKey | InChI | 1.03 | DKZYXHCYPUVGAF-JCNLHEQBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C[C@@H]1CC[C@H](CC1)Nc2c(cnc3ccc(nc23)c4cc(Cl)c(O)c(Cl)c4)C(C)=O |
SMILES | CACTVS | 3.385 | CN(C)C[CH]1CC[CH](CC1)Nc2c(cnc3ccc(nc23)c4cc(Cl)c(O)c(Cl)c4)C(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c4cc(c(c(c4)Cl)O)Cl |