Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c21ccccc1N(C(=O)N2C3CCN(CC3)CCCn4c6c(c(n4)c5ccc(cc5)C(F)(F)F)CN(CC6)C(c7ncnc7)=O)C |
InChI | InChI | 1.03 | InChI=1S/C33H35F3N8O2/c1-40-28-5-2-3-6-29(28)44(32(40)46)24-11-16-41(17-12-24)14-4-15-43-27-13-18-42(31(45)26-19-37-21-38-26)20-25(27)30(39-43)22-7-9-23(10-8-22)33(34,35)36/h2-3,5-10,19,21,24H,4,11-18,20H2,1H3,(H,37,38) |
InChIKey | InChI | 1.03 | MHNXUUQVKHVSPU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C2CCN(CCCn3nc(c4ccc(cc4)C(F)(F)F)c5CN(CCc35)C(=O)c6[nH]cnc6)CC2)c7ccccc17 |
SMILES | CACTVS | 3.385 | CN1C(=O)N(C2CCN(CCCn3nc(c4ccc(cc4)C(F)(F)F)c5CN(CCc35)C(=O)c6[nH]cnc6)CC2)c7ccccc17 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2ccccc2N(C1=O)C3CCN(CC3)CCCn4c5c(c(n4)c6ccc(cc6)C(F)(F)F)CN(CC5)C(=O)c7cnc[nH]7 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2ccccc2N(C1=O)C3CCN(CC3)CCCn4c5c(c(n4)c6ccc(cc6)C(F)(F)F)CN(CC5)C(=O)c7cnc[nH]7 |