Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N)c1ccccc1c2cc(cc(Cl)c2)n5nc(c3c5cc(nc3)NC(c4ccccc4)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](Nc1cc2n(nc(C)c2cn1)c3cc(Cl)cc(c3)c4ccccc4C(N)=O)c5ccccc5 |
SMILES | CACTVS | 3.341 | C[CH](Nc1cc2n(nc(C)c2cn1)c3cc(Cl)cc(c3)c4ccccc4C(N)=O)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)N[C@@H](C)c5ccccc5 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)c4ccccc4C(=O)N)NC(C)c5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C28H24ClN5O/c1-17(19-8-4-3-5-9-19)32-27-15-26-25(16-31-27)18(2)33-34(26)22-13-20(12-21(29)14-22)23-10-6-7-11-24(23)28(30)35/h3-17H,1-2H3,(H2,30,35)(H,31,32)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | IFCBXJXWEYHVPY-KRWDZBQOSA-N |