Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cnc2c(c1C#N)cc(n2C)c3ccc(cc3)N4CCNCC4 |
InChI | InChI | 1.03 | InChI=1S/C19H19N5/c1-23-18(12-17-15(13-20)6-7-22-19(17)23)14-2-4-16(5-3-14)24-10-8-21-9-11-24/h2-7,12,21H,8-11H2,1H3 |
InChIKey | InChI | 1.03 | UAVOZSIHGYSYEZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1c(cc2c(ccnc12)C#N)c3ccc(cc3)N4CCNCC4 |
SMILES | CACTVS | 3.385 | Cn1c(cc2c(ccnc12)C#N)c3ccc(cc3)N4CCNCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c(cc2c1nccc2C#N)c3ccc(cc3)N4CCNCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c(cc2c1nccc2C#N)c3ccc(cc3)N4CCNCC4 |