Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c42c(N(C(C(CC1CCCC1)N2C3CCCC3)=O)C)cnc(n4)Nc5cc(Cl)c(c(c5)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C24H29Cl2N5O2/c1-30-20-13-27-24(28-15-11-17(25)21(32)18(26)12-15)29-22(20)31(16-8-4-5-9-16)19(23(30)33)10-14-6-2-3-7-14/h11-14,16,19,32H,2-10H2,1H3,(H,27,28,29)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | AEZJZTFWCDAUDF-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)[C@@H](CC2CCCC2)N(C3CCCC3)c4nc(Nc5cc(Cl)c(O)c(Cl)c5)ncc14 |
SMILES | CACTVS | 3.385 | CN1C(=O)[CH](CC2CCCC2)N(C3CCCC3)c4nc(Nc5cc(Cl)c(O)c(Cl)c5)ncc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2cnc(nc2N([C@@H](C1=O)CC3CCCC3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2cnc(nc2N(C(C1=O)CC3CCCC3)C4CCCC4)Nc5cc(c(c(c5)Cl)O)Cl |