Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C29H30ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h6-9,12-13,20H,5,10-11,14-15H2,1-4H3,(H,31,33) |
InChIKey | InChI | 1.06 | LQNLTKXYDGIQNW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CC2(CC(C2)n3nc(c4ccc5n(C)ncc5c4)c(c3C)c6c(Cl)c(C)cc7[nH]ncc67)C1 |
SMILES | CACTVS | 3.385 | CCC(=O)N1CC2(CC(C2)n3nc(c4ccc5n(C)ncc5c4)c(c3C)c6c(Cl)c(C)cc7[nH]ncc67)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)c4ccc5c(c4)cnn5C)c6c7cn[nH]c7cc(c6Cl)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)c4ccc5c(c4)cnn5C)c6c7cn[nH]c7cc(c6Cl)C)C |