Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1N(CCNC1)c2ccc(cc2)c4cc3c(nccc3C#N)n4 |
InChI | InChI | 1.03 | InChI=1S/C18H17N5/c19-12-14-5-6-21-18-16(14)11-17(22-18)13-1-3-15(4-2-13)23-9-7-20-8-10-23/h1-6,11,20H,7-10H2,(H,21,22) |
InChIKey | InChI | 1.03 | NVTWXXPKCOGVMK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccnc2[nH]c(cc12)c3ccc(cc3)N4CCNCC4 |
SMILES | CACTVS | 3.385 | N#Cc1ccnc2[nH]c(cc12)c3ccc(cc3)N4CCNCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4 |