Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1ccccc1N4CCN(Cc2c(nc3ccccc23)C)CC4 |
InChI | InChI | 1.03 | InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3 |
InChIKey | InChI | 1.03 | ZAXKSLQZANTESC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4 |
SMILES | CACTVS | 3.370 | Cc1[nH]c2ccccc2c1CN3CCN(CC3)c4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4 |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4 |