Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(nc1CCc1ccc2ccccc2n1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C21H19N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18/h2-12,15H,13-14H2,1H3 |
InChIKey | InChI | 1.03 | IQXLHLPDOHCJMU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(nc1CCc2ccc3ccccc3n2)c4ccccc4 |