Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1c(OC)cc(c(OC)c1)NC(=O)c2cccc3cccnc23 |
InChI | InChI | 1.03 | InChI=1S/C18H15ClN2O3/c1-23-15-10-14(16(24-2)9-13(15)19)21-18(22)12-7-3-5-11-6-4-8-20-17(11)12/h3-10H,1-2H3,(H,21,22) |
InChIKey | InChI | 1.03 | ZOLFBMDMHYBSQF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl |
SMILES | CACTVS | 3.385 | COc1cc(NC(=O)c2cccc3cccnc23)c(OC)cc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3 |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3 |