Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c(c1ccc(cc1n2c3ccccc3)N5CC4CNCC4C5)CC |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1nn(c2ccccc2)c3cc(ccc13)N4C[C@@H]5CNC[C@@H]5C4 |
SMILES | CACTVS | 3.370 | CCc1nn(c2ccccc2)c3cc(ccc13)N4C[CH]5CNC[CH]5C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCc1c2ccc(cc2n(n1)c3ccccc3)N4C[C@H]5CNC[C@H]5C4 |
SMILES | OpenEye OEToolkits | 1.7.2 | CCc1c2ccc(cc2n(n1)c3ccccc3)N4CC5CNCC5C4 |
InChI | InChI | 1.03 | InChI=1S/C21H24N4/c1-2-20-19-9-8-18(24-13-15-11-22-12-16(15)14-24)10-21(19)25(23-20)17-6-4-3-5-7-17/h3-10,15-16,22H,2,11-14H2,1H3/t15-,16+ |
InChIKey | InChI | 1.03 | JRGJWNYNELQBIY-IYBDPMFKSA-N |