Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc3ccccc3C2=NCC(=O)N(c1ccc(Cl)cc12)CCN(CC)CC |
InChI | InChI | 1.03 | InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3 |
InChIKey | InChI | 1.03 | SAADBVWGJQAEFS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13 |
SMILES | CACTVS | 3.370 | CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl |