Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OC |
InChI | InChI | 1.06 | InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22) |
InChIKey | InChI | 1.06 | RPTKBNCKDMLWOT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
SMILES | CACTVS | 3.385 | COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl |