Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(C#N)ccc1C(CNC(c2ccccc2)C(Nc3ccc(cn3)c4cn(nc4)C)=O)C |
InChI | InChI | 1.03 | InChI=1S/C27H26N6O/c1-19(21-10-8-20(14-28)9-11-21)15-30-26(22-6-4-3-5-7-22)27(34)32-25-13-12-23(16-29-25)24-17-31-33(2)18-24/h3-13,16-19,26,30H,15H2,1-2H3,(H,29,32,34)/t19-,26-/m1/s1 |
InChIKey | InChI | 1.03 | SEDFZSHSBUXKAC-NIYFSFCBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)c2cnn(C)c2)c3ccccc3)c4ccc(cc4)C#N |
SMILES | CACTVS | 3.385 | C[CH](CN[CH](C(=O)Nc1ccc(cn1)c2cnn(C)c2)c3ccccc3)c4ccc(cc4)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CN[C@H](c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(CNC(c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N |