Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc4cc1c(C(=NC(C)(C)C1)NC(C2=NC(=O)ON2)Cc3ccccc3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C21H21ClN4O2/c1-21(2)12-14-11-15(22)8-9-16(14)18(25-21)23-17(19-24-20(27)28-26-19)10-13-6-4-3-5-7-13/h3-9,11,17H,10,12H2,1-2H3,(H,23,25)(H,24,26,27)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | XREOSEVJCQGCHE-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)Cc2cc(Cl)ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4 |
SMILES | CACTVS | 3.370 | CC1(C)Cc2cc(Cl)ccc2C(=N1)N[CH](Cc3ccccc3)C4=NC(=O)ON4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(Cc2cc(ccc2C(=N1)NC(Cc3ccccc3)C4=NC(=O)ON4)Cl)C |