Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c4c(c(c2c1cccc2)NCc3ccccc3)CCCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | C1CCc2c(C1)nc3ccccc3c2NCc4ccccc4 |
SMILES | CACTVS | 3.341 | C1CCc2c(C1)nc3ccccc3c2NCc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNc2c3ccccc3nc4c2CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C20H20N2/c1-2-8-15(9-3-1)14-21-20-16-10-4-6-12-18(16)22-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,21,22) |
InChIKey | InChI | 1.03 | JYJAEHAURXXPSD-UHFFFAOYSA-N |