| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc2ccc1c(N)c3c(nc1c2)CC4C=C(CC3C4)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC1=C[C@H]2C[C@@H](C1)c3c(N)c4ccc(Cl)cc4nc3C2 |
| SMILES | CACTVS | 3.341 | CCC1=C[CH]2C[CH](C1)c3c(N)c4ccc(Cl)cc4nc3C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC1=CC2Cc3c(c(c4ccc(cc4n3)Cl)N)C(C2)C1 |
| InChI | InChI | 1.03 | InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15-9-13(19)3-4-14(15)18(17)20/h3-5,9,11-12H,2,6-8H2,1H3,(H2,20,21)/t11-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | QTPHSDHUHXUYFE-NWDGAFQWSA-N |
