種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C1N=CCc2c1c(c4c(c2C)nc3ccc(O)cc34)C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1c2CC=NC(=O)c2c(C)c3c1[nH]c4ccc(O)cc34 |
SMILES | CACTVS | 3.370 | Cc1c2CC=NC(=O)c2c(C)c3c1[nH]c4ccc(O)cc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2 |
InChI | InChI | 1.03 | InChI=1S/C17H14N2O2/c1-8-11-5-6-18-17(21)15(11)9(2)14-12-7-10(20)3-4-13(12)19-16(8)14/h3-4,6-7,19-20H,5H2,1-2H3 |
InChIKey | InChI | 1.03 | BYVREUYOPILHPU-UHFFFAOYSA-N |