Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1cc(cc2c1nnn2CC1CCNCC1)c1c[NH]c2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C20H21N5/c1-2-4-18-16(3-1)17(12-22-18)15-5-6-19-20(11-15)25(24-23-19)13-14-7-9-21-10-8-14/h1-6,11-12,14,21-22H,7-10,13H2 |
InChIKey | InChI | 1.06 | PNWXIFPGKLWYOV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CC(CCN1)Cn2nnc3ccc(cc23)c4c[nH]c5ccccc45 |
SMILES | CACTVS | 3.385 | C1CC(CCN1)Cn2nnc3ccc(cc23)c4c[nH]c5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)c3ccc4c(c3)n(nn4)CC5CCNCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)c3ccc4c(c3)n(nn4)CC5CCNCC5 |