Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C16H12N2O3/c1-21-16(20)11-8-6-10(7-9-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-9H,1H3,(H,17,18,19) |
InChIKey | InChI | 1.03 | WBNLAUIGSCBBTF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES | CACTVS | 3.385 | COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |