Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n4c3c1c(cccc1)C(c2ccccc2)Cc3cnc4N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1ncc2C[C@@H](c3ccccc3)c4ccccc4c2n1 |
SMILES | CACTVS | 3.370 | Nc1ncc2C[CH](c3ccccc3)c4ccccc4c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C2Cc3cnc(nc3-c4c2cccc4)N |
InChI | InChI | 1.03 | InChI=1S/C18H15N3/c19-18-20-11-13-10-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)21-18/h1-9,11,16H,10H2,(H2,19,20,21)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | BMOQBIIJPJVMDI-INIZCTEOSA-N |