Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCc1ncccc1)c3ccc(Oc2ccccc2)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | O=C(NCc1ccccn1)c2ccc(Oc3ccccc3)cc2 |
SMILES | CACTVS | 3.341 | O=C(NCc1ccccn1)c2ccc(Oc3ccccc3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3 |
InChI | InChI | 1.03 | InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22) |
InChIKey | InChI | 1.03 | HVLSCZSVTCNAQX-UHFFFAOYSA-N |