Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccc(c(Cl)c1)N(C3=NN(c2c(Cl)cccc2)C(=O)C=C3)CCCN5C(=O)c4ccccc4C5=O |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc(N(CCCN2C(=O)c3ccccc3C2=O)C4=NN(C(=O)C=C4)c5ccccc5Cl)c(Cl)c1 |
SMILES | CACTVS | 3.341 | Fc1ccc(N(CCCN2C(=O)c3ccccc3C2=O)C4=NN(C(=O)C=C4)c5ccccc5Cl)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl |
InChI | InChI | 1.03 | InChI=1S/C27H19Cl2FN4O3/c28-20-8-3-4-9-23(20)34-25(35)13-12-24(31-34)32(22-11-10-17(30)16-21(22)29)14-5-15-33-26(36)18-6-1-2-7-19(18)27(33)37/h1-4,6-13,16H,5,14-15H2 |
InChIKey | InChI | 1.03 | QGJNGXXVCVFADC-UHFFFAOYSA-N |