種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c4c(Cl)cc1c(n3c(cc1c2ccccc2)nnc3CCN(C)C)c4 |
InChI | InChI | 1.03 | InChI=1S/C20H19ClN4/c1-24(2)11-10-19-22-23-20-13-16(14-6-4-3-5-7-14)17-12-15(21)8-9-18(17)25(19)20/h3-9,12-13H,10-11H2,1-2H3 |
InChIKey | InChI | 1.03 | LYLASWLQCMKZAT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCc1nnc2cc(c3ccccc3)c4cc(Cl)ccc4n12 |
SMILES | CACTVS | 3.385 | CN(C)CCc1nnc2cc(c3ccccc3)c4cc(Cl)ccc4n12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl |