Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccccc1NC(=O)CCC(=O)/N=N/C=C3\C=C/C(=C\N=N\C(=O)CCC(=O)Nc2ccccc2Cl)C=C3 |
SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccccc1NC(=O)CCC(=O)N=NC=C2C=CC(C=C2)=CN=NC(=O)CCC(=O)Nc3ccccc3Cl |
SMILES | CACTVS | 3.370 | Clc1ccccc1NC(=O)CCC(=O)N=NC=C2C=CC(C=C2)=CN=NC(=O)CCC(=O)Nc3ccccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC(=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)NC(=O)CCC(=O)N=NC=C2C=CC(=CN=NC(=O)CCC(=O)Nc3ccccc3Cl)C=C2)Cl |
InChI | InChI | 1.03 | InChI=1S/C28H24Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)/b19-17-,20-18-,35-31+,36-32+ |
InChIKey | InChI | 1.03 | HTJQQXMFDMUXSX-MDQGHDFKSA-N |