Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3ccc(OC1=CC(=O)N(N=C1C(=O)N)c2ccccc2)cc3 |
InChI | InChI | 1.03 | InChI=1S/C17H12ClN3O3/c18-11-6-8-13(9-7-11)24-14-10-15(22)21(20-16(14)17(19)23)12-4-2-1-3-5-12/h1-10H,(H2,19,23) |
InChIKey | InChI | 1.03 | JNJFDMSSDRBEMQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C1=NN(C(=O)C=C1Oc2ccc(Cl)cc2)c3ccccc3 |
SMILES | CACTVS | 3.385 | NC(=O)C1=NN(C(=O)C=C1Oc2ccc(Cl)cc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl |