Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc4c(cc1)c(nnc4N3CC(N(c2ncc(C#N)cc2)CC3)C)Cc5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1 |
InChIKey | InChI | 1.03 | XUZUIICAPXZZDU-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3nnc(Cc4ccccc4)c5ccc(Cl)cc35 |
SMILES | CACTVS | 3.385 | C[CH]1CN(CCN1c2ccc(cn2)C#N)c3nnc(Cc4ccccc4)c5ccc(Cl)cc35 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl |