Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H17N5O/c1-25-12-17(10-22-25)19-7-8-20-21(24-19)18(14-27-20)16-9-23-26(13-16)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3 |
InChIKey | InChI | 1.03 | IAJZCWZPVNGTMZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2ccc3occ(c4cnn(Cc5ccccc5)c4)c3n2 |
SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2ccc3occ(c4cnn(Cc5ccccc5)c4)c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5 |