Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c1cc(nc1CCN2)c5ccnc(c3cc4ccccc4nc3)c5 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C1NCCc2[nH]c(cc12)c3ccnc(c3)c4cnc5ccccc5c4 |
SMILES | CACTVS | 3.341 | O=C1NCCc2[nH]c(cc12)c3ccnc(c3)c4cnc5ccccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O |
InChI | InChI | 1.03 | InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26) |
InChIKey | InChI | 1.03 | OWFLADWRSCINST-UHFFFAOYSA-N |