Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N2C(c1c(Br)cccc1)CCC2)CNC(=O)NCc3ccc(N)cc3 |
InChI | InChI | 1.03 | InChI=1S/C20H23BrN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | QASXSMHVNVTEBM-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c3ccccc3Br)cc1 |
SMILES | CACTVS | 3.370 | Nc1ccc(CNC(=O)NCC(=O)N2CCC[CH]2c3ccccc3Br)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C2CCCN2C(=O)CNC(=O)NCc3ccc(cc3)N)Br |