Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(OC)cc1)C(NC2=Nc3c(C(=O)N2)cnn3c4ccccc4C)C |
InChI | InChI | 1.03 | InChI=1S/C22H22N6O3/c1-13-6-4-5-7-18(13)28-19-17(12-23-28)21(30)27-22(26-19)24-14(2)20(29)25-15-8-10-16(31-3)11-9-15/h4-12,14H,1-3H3,(H,25,29)(H2,24,26,27,30)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | VHGPQZWYIWLLDA-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(NC(=O)[C@H](C)NC2=Nc3n(ncc3C(=O)N2)c4ccccc4C)cc1 |
SMILES | CACTVS | 3.370 | COc1ccc(NC(=O)[CH](C)NC2=Nc3n(ncc3C(=O)N2)c4ccccc4C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C)C(=O)Nc4ccc(cc4)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)NC(C)C(=O)Nc4ccc(cc4)OC |