Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3c2c(NC1CCCC1)nnc(c2cc(c3Cl)Cl)c4ccncc4 |
InChI | InChI | 1.03 | InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24) |
InChIKey | InChI | 1.03 | ABGOSOMRWSYAOB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2c(NC3CCCC3)nnc(c4ccncc4)c2cc1Cl |
SMILES | CACTVS | 3.385 | Clc1cc2c(NC3CCCC3)nnc(c4ccncc4)c2cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl |