Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C27H28ClN5O/c1-4-22(34)32-14-27(15-32)11-19(12-27)33-17(3)23(26(31-33)18-8-6-5-7-9-18)24-20-13-29-30-21(20)10-16(2)25(24)28/h5-10,13,19H,4,11-12,14-15H2,1-3H3,(H,29,30) |
InChIKey | InChI | 1.06 | YRRYLCZNICDPLK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CC2(CC(C2)n3nc(c4ccccc4)c(c3C)c5c(Cl)c(C)cc6[nH]ncc56)C1 |
SMILES | CACTVS | 3.385 | CCC(=O)N1CC2(CC(C2)n3nc(c4ccccc4)c(c3C)c5c(Cl)c(C)cc6[nH]ncc56)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)c4ccccc4)c5c6cn[nH]c6cc(c5Cl)C)C |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)c4ccccc4)c5c6cn[nH]c6cc(c5Cl)C)C |