Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc1ccccc1CN2C(=O)c4c(N=C2N3CCCC(N)C3)cccc4 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]1CCCN(C1)C2=Nc3ccccc3C(=O)N2Cc4ccccc4C#N |
SMILES | CACTVS | 3.341 | N[CH]1CCCN(C1)C2=Nc3ccccc3C(=O)N2Cc4ccccc4C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)CN2C(=O)c3ccccc3N=C2N4CCC[C@H](C4)N)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)CN2C(=O)c3ccccc3N=C2N4CCCC(C4)N)C#N |
InChI | InChI | 1.03 | InChI=1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1 |
InChIKey | InChI | 1.03 | OYNURZXTLNNKAP-QGZVFWFLSA-N |