種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C2c1cc(F)c(c(c1N(C(=O)N2N)C3CC3)C)N4CCC(C(N)C)C4 |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](N)[C@@H]1CCN(C1)c2c(C)c3N(C4CC4)C(=O)N(N)C(=O)c3cc2F |
SMILES | CACTVS | 3.370 | C[CH](N)[CH]1CCN(C1)c2c(C)c3N(C4CC4)C(=O)N(N)C(=O)c3cc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=O)N(C(=O)N2C4CC4)N |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c2c(cc(c1N3CCC(C3)C(C)N)F)C(=O)N(C(=O)N2C4CC4)N |
InChI | InChI | 1.03 | InChI=1S/C18H24FN5O2/c1-9-15-13(17(25)24(21)18(26)23(15)12-3-4-12)7-14(19)16(9)22-6-5-11(8-22)10(2)20/h7,10-12H,3-6,8,20-21H2,1-2H3/t10-,11+/m0/s1 |
InChIKey | InChI | 1.03 | SMONLCFJGCJROJ-WDEREUQCSA-N |