種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(Nc2cc1ccnc1cc2)c3cc(cc(F)c3)N4CCOCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | Fc1cc(cc(c1)C(=O)Nc2ccc3[nH]ccc3c2)N4CCOCC4 |
SMILES | CACTVS | 3.341 | Fc1cc(cc(c1)C(=O)Nc2ccc3[nH]ccc3c2)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24) |
InChIKey | InChI | 1.03 | VMLSXFMXUNVCSK-UHFFFAOYSA-N |