| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#C)c3)CC=2C1=O |
| InChI | InChI | 1.03 | InChI=1S/C25H23ClN4O/c1-2-18-4-3-5-20(14-18)15-28-12-10-23-22(17-28)24(31)30(25-27-11-13-29(23)25)16-19-6-8-21(26)9-7-19/h1,3-9,14H,10-13,15-17H2 |
| InChIKey | InChI | 1.03 | ZVMMRPKNIIGQEN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(c4)C#C)C3)N5CCN=C25)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(c4)C#C)C3)N5CCN=C25)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#Cc1cccc(c1)CN2CCC3=C(C2)C(=O)N(C4=NCCN34)Cc5ccc(cc5)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#Cc1cccc(c1)CN2CCC3=C(C2)C(=O)N(C4=NCCN34)Cc5ccc(cc5)Cl |
