Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1cc(Br)ccc1N)N2CCCC2Cc3ccccc3Cl |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(Br)cc1C(=O)N2CCC[C@@H]2Cc3ccccc3Cl |
SMILES | CACTVS | 3.341 | Nc1ccc(Br)cc1C(=O)N2CCC[CH]2Cc3ccccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C[C@H]2CCCN2C(=O)c3cc(ccc3N)Br)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)CC2CCCN2C(=O)c3cc(ccc3N)Br)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H18BrClN2O/c19-13-7-8-17(21)15(11-13)18(23)22-9-3-5-14(22)10-12-4-1-2-6-16(12)20/h1-2,4,6-8,11,14H,3,5,9-10,21H2/t14-/m1/s1 |
InChIKey | InChI | 1.03 | JEGGWFHNKPRKTO-CQSZACIVSA-N |