| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CN(C(=O)c1cc(ccc1)C=3c2c(ncc2)C(N(C=3)CC[C@H]=C)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3 |
| InChIKey | InChI | 1.03 | VNCNIMOILJQAGJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1cccc(c1)C2=CN(CCC=C)C(=O)c3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)c1cccc(c1)C2=CN(CCC=C)C(=O)c3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C |
