Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1c(C)cc(cc1)CCNCc2cc3c(cc2)c(cc(n3)N)C |
InChI | InChI | 1.03 | InChI=1S/C21H22N4/c1-14-9-16(3-5-18(14)12-22)7-8-24-13-17-4-6-19-15(2)10-21(23)25-20(19)11-17/h3-6,9-11,24H,7-8,13H2,1-2H3,(H2,23,25) |
InChIKey | InChI | 1.03 | GMHLRRHIOCDMQV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CCNCc2ccc3c(C)cc(N)nc3c2)ccc1C#N |
SMILES | CACTVS | 3.385 | Cc1cc(CCNCc2ccc3c(C)cc(N)nc3c2)ccc1C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C |