Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC)c1c(c(nc1C)/C=C3/c2cc(Cl)ccc2NC3=O)C |
SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)c1c(C)[nH]c(\C=C\2C(=O)Nc3ccc(Cl)cc\23)c1C |
SMILES | CACTVS | 3.341 | CNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(Cl)cc23)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c([nH]c(c1C(=O)NC)C)\C=C/2\c3cc(ccc3NC2=O)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c([nH]c(c1C(=O)NC)C)C=C2c3cc(ccc3NC2=O)Cl |
InChI | InChI | 1.03 | InChI=1S/C17H16ClN3O2/c1-8-14(20-9(2)15(8)17(23)19-3)7-12-11-6-10(18)4-5-13(11)21-16(12)22/h4-7,20H,1-3H3,(H,19,23)(H,21,22)/b12-7- |
InChIKey | InChI | 1.03 | FIRPCWHHIWFKCD-GHXNOFRVSA-N |