Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc1ccccc1C[n+]2c(nc3c2C(=O)N(C3=O)C)N4CCCC(N)C4 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)c2[nH]c(N3CCC[C@H](N)C3)[n+](Cc4ccccc4C#N)c2C1=O |
SMILES | CACTVS | 3.341 | CN1C(=O)c2[nH]c(N3CCC[CH](N)C3)[n+](Cc4ccccc4C#N)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H](C3)N)Cc4ccccc4C#N)C1=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(=O)c2c([n+](c([nH]2)N3CCCC(C3)N)Cc4ccccc4C#N)C1=O |
InChI | InChI | 1.03 | InChI=1S/C19H20N6O2/c1-23-17(26)15-16(18(23)27)25(10-13-6-3-2-5-12(13)9-20)19(22-15)24-8-4-7-14(21)11-24/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3/p+1/t14-/m0/s1 |
InChIKey | InChI | 1.03 | WVRGIUWTFUXDGX-AWEZNQCLSA-O |