Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(nc4c(c1N3CCN(c2ccc(OC)cc2)CC3)cccc4)c5ncccc5 |
InChI | InChI | 1.03 | InChI=1S/C24H23N5O/c1-30-19-11-9-18(10-12-19)28-14-16-29(17-15-28)24-20-6-2-3-7-21(20)26-23(27-24)22-8-4-5-13-25-22/h2-13H,14-17H2,1H3 |
InChIKey | InChI | 1.03 | BNLATJNUBANGFF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5ccccn5 |
SMILES | CACTVS | 3.370 | COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5ccccn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5 |