Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC1CC1)c5cc(C3=Cc2nnc(n2N(C3=O)CC)c4c(F)cccc4Cl)c(cc5)C |
InChI | InChI | 1.03 | InChI=1S/C24H21ClFN5O2/c1-3-30-24(33)17(16-11-14(8-7-13(16)2)23(32)27-15-9-10-15)12-20-28-29-22(31(20)30)21-18(25)5-4-6-19(21)26/h4-8,11-12,15H,3,9-10H2,1-2H3,(H,27,32) |
InChIKey | InChI | 1.03 | JCOILWGRHHMFON-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCN1n2c(C=C(C1=O)c3cc(ccc3C)C(=O)NC4CC4)nnc2c5c(F)cccc5Cl |
SMILES | CACTVS | 3.370 | CCN1n2c(C=C(C1=O)c3cc(ccc3C)C(=O)NC4CC4)nnc2c5c(F)cccc5Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5 |
SMILES | OpenEye OEToolkits | 1.7.2 | CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5 |