Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c1ccccc1C(=NN2C)CC(=O)Nc5ccc3c(oc4c3CCCC4)c5 |
InChI | InChI | 1.03 | InChI=1S/C23H21N3O3/c1-26-23(28)18-8-3-2-6-15(18)19(25-26)13-22(27)24-14-10-11-17-16-7-4-5-9-20(16)29-21(17)12-14/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27) |
InChIKey | InChI | 1.03 | KAXJCCSKFNCNLI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1N=C(CC(=O)Nc2ccc3c4CCCCc4oc3c2)c5ccccc5C1=O |
SMILES | CACTVS | 3.385 | CN1N=C(CC(=O)Nc2ccc3c4CCCCc4oc3c2)c5ccccc5C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)oc5c4CCCC5 |