種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | OCCc1cccc(c1)\C=C\c3cc2ccc(C(=[N@H])N)cc2cc3 |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O/c22-21(23)20-9-8-18-13-17(6-7-19(18)14-20)5-4-15-2-1-3-16(12-15)10-11-24/h1-9,12-14,24H,10-11H2,(H3,22,23)/b5-4+ |
InChIKey | InChI | 1.03 | RRGBOWXXLBROIW-SNAWJCMRSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1ccc2cc(/C=C/c3cccc(CCO)c3)ccc2c1 |
SMILES | CACTVS | 3.370 | NC(=N)c1ccc2cc(C=Cc3cccc(CCO)c3)ccc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/c1ccc2cc(ccc2c1)/C=C/c3cccc(c3)CCO)\N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C=Cc2ccc3cc(ccc3c2)C(=N)N)CCO |