Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Clc1ccccc1Nc2ncc(c(n2)c4cc(C(=O)NC(c3ccccc3)CO)nc4)C |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1cnc(Nc2ccccc2Cl)nc1c3c[nH]c(c3)C(=O)N[C@H](CO)c4ccccc4 |
SMILES | CACTVS | 3.352 | Cc1cnc(Nc2ccccc2Cl)nc1c3c[nH]c(c3)C(=O)N[CH](CO)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cnc(nc1c2cc([nH]c2)C(=O)NC(CO)c3ccccc3)Nc4ccccc4Cl |
InChI | InChI | 1.03 | InChI=1S/C24H22ClN5O2/c1-15-12-27-24(29-19-10-6-5-9-18(19)25)30-22(15)17-11-20(26-13-17)23(32)28-21(14-31)16-7-3-2-4-8-16/h2-13,21,26,31H,14H2,1H3,(H,28,32)(H,27,29,30)/t21-/m1/s1 |
InChIKey | InChI | 1.03 | AICUOEJPCSKION-OAQYLSRUSA-N |