Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2(CC1CCCC(N1C)C2)Nc3c(Br)cccc3 |
InChI | InChI | 1.03 | InChI=1S/C15H21BrN2/c1-18-12-5-4-6-13(18)10-11(9-12)17-15-8-3-2-7-14(15)16/h2-3,7-8,11-13,17H,4-6,9-10H2,1H3/t11-,12+,13- |
InChIKey | InChI | 1.03 | UZJWAFOJOSGEKL-CLLJXQQHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H]2CCC[C@H]1C[C@H](C2)Nc3ccccc3Br |
SMILES | CACTVS | 3.385 | CN1[CH]2CCC[CH]1C[CH](C2)Nc3ccccc3Br |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1[C@@H]2CCC[C@H]1CC(C2)Nc3ccccc3Br |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C2CCCC1CC(C2)Nc3ccccc3Br |