Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26) |
InChIKey | InChI | 1.03 | XBGRZWVCOXMUCW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5 |
SMILES | CACTVS | 3.385 | Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5 |