Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc1ccccc1Cn2c4c(nc2N3CCCC(N)C3)N(C(=O)N(C4=O)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)N(C)c2nc(N3CCC[C@@H](N)C3)n(Cc4ccccc4C#N)c2C1=O |
SMILES | CACTVS | 3.341 | CN1C(=O)N(C)c2nc(N3CCC[CH](N)C3)n(Cc4ccccc4C#N)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2c(n(c(n2)N3CCCC(C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C |
InChI | InChI | 1.03 | InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3/t15-/m1/s1 |
InChIKey | InChI | 1.03 | XJNKUWDMCBZMTG-OAHLLOKOSA-N |