Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C30H26N4/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)33-25)31-19-9-10-20-32-30-23-13-3-7-17-27(23)34-28-18-8-4-14-24(28)30/h1-8,11-18H,9-10,19-20H2,(H,31,33)(H,32,34) |
InChIKey | InChI | 1.06 | MKFRLGCMWOIRSO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C(CCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46 |
SMILES | CACTVS | 3.385 | C(CCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc5nc6ccccc46 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c3ccccc3n2)NCCCCNc4c5ccccc5nc6c4cccc6 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c3ccccc3n2)NCCCCNc4c5ccccc5nc6c4cccc6 |