種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C22H22FN5/c23-19-3-1-2-15(9-19)8-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-4-6-24-7-5-20/h1-3,9-14,20,24H,4-8H2,(H,25,26) |
InChIKey | InChI | 1.03 | LNDZMYHGWLSAGJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)c1 |
SMILES | CACTVS | 3.385 | Fc1cccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5 |