Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN1N=CC(Nc2ccc(CN(C)C)cc2)=C(Cl)C1=O |
InChI | InChI | 1.03 | InChI=1S/C14H17ClN4O/c1-18(2)9-10-4-6-11(7-5-10)17-12-8-16-19(3)14(20)13(12)15/h4-8,17H,9H2,1-3H3 |
InChIKey | InChI | 1.03 | NERLHNQOXJXDPS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccc(NC2=C(Cl)C(=O)N(C)N=C2)cc1 |
SMILES | CACTVS | 3.385 | CN(C)Cc1ccc(NC2=C(Cl)C(=O)N(C)N=C2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN(C)C)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN(C)C)Cl |