Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2 |
InChIKey | InChI | 1.03 | XKUZMIUSBMCVPP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC1(CCN(CC1)C(=O)c2cccnc2c3ccncc3)Cc4ccccc4 |
SMILES | CACTVS | 3.385 | OC1(CCN(CC1)C(=O)c2cccnc2c3ccncc3)Cc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2(CCN(CC2)C(=O)c3cccnc3c4ccncc4)O |