Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45 |
InChI | InChI | 1.03 | InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H |
InChIKey | InChI | 1.03 | SFZNDQGUHVYHPD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15 |
SMILES | CACTVS | 3.385 | O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5 |