Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(C(C)(O)c1ccccc1)n2cncn2)c3ccc(cc3)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3/t17-,18+/m0/s1 |
InChIKey | InChI | 1.03 | YULDTPKHZNKFEY-ZWKOTPCHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@](O)([C@H](Cc1ccc(Cl)cc1)n2cncn2)c3ccccc3 |
SMILES | CACTVS | 3.385 | C[C](O)([CH](Cc1ccc(Cl)cc1)n2cncn2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@](c1ccccc1)([C@H](Cc2ccc(cc2)Cl)n3cncn3)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccccc1)(C(Cc2ccc(cc2)Cl)n3cncn3)O |