種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1cc(c(F)cc1F)CC(N)CCNC(=O)N3Cc2ccc(n2CC3)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C19H20F6N4O/c20-14-9-16(22)15(21)8-11(14)7-12(26)3-4-27-18(30)28-5-6-29-13(10-28)1-2-17(29)19(23,24)25/h1-2,8-9,12H,3-7,10,26H2,(H,27,30)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | LULDEXNDCODGTE-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCNC(=O)N1CCn2c(C1)ccc2C(F)(F)F)Cc3cc(F)c(F)cc3F |
SMILES | CACTVS | 3.370 | N[CH](CCNC(=O)N1CCn2c(C1)ccc2C(F)(F)F)Cc3cc(F)c(F)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(n2c1CN(CC2)C(=O)NCC[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(n2c1CN(CC2)C(=O)NCCC(Cc3cc(c(cc3F)F)F)N)C(F)(F)F |