| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c5(c1ccncc1)c4CN(C=2C=CN(C(C=2)=O)Cc3ccccc3)CCc4nn5 |
| InChI | InChI | 1.03 | InChI=1S/C23H21N5O/c29-22-14-19(8-12-28(22)15-17-4-2-1-3-5-17)27-13-9-21-20(16-27)23(26-25-21)18-6-10-24-11-7-18/h1-8,10-12,14H,9,13,15-16H2,(H,25,26) |
| InChIKey | InChI | 1.03 | IKCMXTMBGDOSIP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=C(C=CN1Cc2ccccc2)N3CCc4n[nH]c(c5ccncc5)c4C3 |
| SMILES | CACTVS | 3.385 | O=C1C=C(C=CN1Cc2ccccc2)N3CCc4n[nH]c(c5ccncc5)c4C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3 |
