Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NOC)c1cc(c(cc1)C)Nc2ncnn3c2c(c(c3)C(=O)NC(c4ccccc4)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |
SMILES | CACTVS | 3.341 | CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[CH](C)c4ccccc4)c(C)c23)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(C)c4ccccc4)C)C(=O)NOC |
InChI | InChI | 1.03 | InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | STNJCYKOXYBBIA-KRWDZBQOSA-N |