Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25N5O/c1-27(2)15-17-8-10-18(11-9-17)20-12-13-22(28-16-25-26-23(20)28)24-14-19-6-4-5-7-21(19)29-3/h4-13,16,24H,14-15H2,1-3H3 |
InChIKey | InChI | 1.03 | QKLHJAGJPBYRBR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CNc2ccc(c3ccc(CN(C)C)cc3)c4nncn24 |
SMILES | CACTVS | 3.385 | COc1ccccc1CNc2ccc(c3ccc(CN(C)C)cc3)c4nncn24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc(cc1)c2ccc(n3c2nnc3)NCc4ccccc4OC |