Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1ccccc1c(c4c2c3ccccc3n4)NCCN(CC)CC |
SMILES_CANONICAL | CACTVS | 3.370 | CCN(CC)CCNc1c2[nH]c3ccccc3c2nc4ccccc14 |
SMILES | CACTVS | 3.370 | CCN(CC)CCNc1c2[nH]c3ccccc3c2nc4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4 |
InChI | InChI | 1.03 | InChI=1S/C21H24N4/c1-3-25(4-2)14-13-22-19-15-9-5-7-11-17(15)23-20-16-10-6-8-12-18(16)24-21(19)20/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23) |
InChIKey | InChI | 1.03 | BWWJYRDFOAYKCH-UHFFFAOYSA-N |