Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cccc(c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3 |
SMILES_CANONICAL | CACTVS | 3.341 | Brc1cccc(NC(=O)[C@@H]2CN(C3CCCCC3)C(=O)C2)c1 |
SMILES | CACTVS | 3.341 | Brc1cccc(NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Br)NC(=O)C2CC(=O)N(C2)C3CCCCC3 |
InChI | InChI | 1.03 | InChI=1S/C17H21BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | MVPIURCUINFSAB-LBPRGKRZSA-N |