Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc2cc(cc(NCCc1ncccc1)c2)CCc3nc(N)cc(c3)C |
InChI | InChI | 1.03 | InChI=1S/C22H23N5/c1-16-10-20(27-22(24)11-16)6-5-17-12-18(15-23)14-21(13-17)26-9-7-19-4-2-3-8-25-19/h2-4,8,10-14,26H,5-7,9H2,1H3,(H2,24,27) |
InChIKey | InChI | 1.03 | MPQMVSXQSZLJJB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1 |
SMILES | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cc(NCCc3ccccn3)cc(c2)C#N)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N |