| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=CC4C5\C(=C/C)CN3C(c2nc1ccccc1c2CC34)C5 |
| SMILES_CANONICAL | CACTVS | 3.341 | C\C=C1\CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@@H]3C=O |
| SMILES | CACTVS | 3.341 | CC=C1CN2[CH]3Cc4c([nH]c5ccccc45)[CH]2C[CH]1[CH]3C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C\C=C/1\C[N@@]2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@@H]1[C@@H]3C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC=C1CN2C3Cc4c5ccccc5[nH]c4C2CC1C3C=O |
| InChI | InChI | 1.03 | InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15-,17-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | MHASSCPGKAMILD-MIOJWWSHSA-N |
