Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)Cc2c1ccccc1n(c2)Cc3cccc(Cl)c3 |
InChI | InChI | 1.03 | InChI=1S/C17H14ClNO2/c18-14-5-3-4-12(8-14)10-19-11-13(9-17(20)21)15-6-1-2-7-16(15)19/h1-8,11H,9-10H2,(H,20,21) |
InChIKey | InChI | 1.03 | BMZCMTIGPMYJKO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1cn(Cc2cccc(Cl)c2)c3ccccc13 |
SMILES | CACTVS | 3.385 | OC(=O)Cc1cn(Cc2cccc(Cl)c2)c3ccccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O |