Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | Fc1ccc(c(F)c1)CCc3ccc4nnc(c2cc(C(=O)N)ccc2C)n4c3 |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1ccc(cc1c2nnc3ccc(CCc4ccc(F)cc4F)cn23)C(N)=O |
SMILES | CACTVS | 3.352 | Cc1ccc(cc1c2nnc3ccc(CCc4ccc(F)cc4F)cn23)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C22H18F2N4O/c1-13-2-5-16(21(25)29)10-18(13)22-27-26-20-9-4-14(12-28(20)22)3-6-15-7-8-17(23)11-19(15)24/h2,4-5,7-12H,3,6H2,1H3,(H2,25,29) |
InChIKey | InChI | 1.03 | IECIDZDLEJWPAN-UHFFFAOYSA-N |