Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N#Cc5c(c2c1ccccc1ccc2)cc(N(Cc3cccc(C#N)c3)Cc4cncn4C)cc5 |
SMILES_CANONICAL | CACTVS | 3.341 | Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(C#N)c(c3)c4cccc5ccccc45 |
SMILES | CACTVS | 3.341 | Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(C#N)c(c3)c4cccc5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4cccc5c4cccc5)C#N |
InChI | InChI | 1.03 | InChI=1S/C30H23N5/c1-34-21-33-18-27(34)20-35(19-23-7-4-6-22(14-23)16-31)26-13-12-25(17-32)30(15-26)29-11-5-9-24-8-2-3-10-28(24)29/h2-15,18,21H,19-20H2,1H3 |
InChIKey | InChI | 1.03 | IQZCODLAPFPVNS-UHFFFAOYSA-N |