Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1CCN(N=C1c1ccnn1c1ccccc1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C19H16N4O/c24-18-12-14-22(15-7-3-1-4-8-15)21-19(18)17-11-13-20-23(17)16-9-5-2-6-10-16/h1-11,13H,12,14H2 |
InChIKey | InChI | 1.03 | RHGVCYSETKIOMQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCN(N=C1c2ccnn2c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | O=C1CCN(N=C1c2ccnn2c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2c(ccn2)C3=NN(CCC3=O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2c(ccn2)C3=NN(CCC3=O)c4ccccc4 |