Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c1ccccc1C(=NN2C)CC(=O)Nc5cc3c(oc4c3CCCC4)cc5 |
InChI | InChI | 1.03 | InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27) |
InChIKey | InChI | 1.03 | GMQDVIPGHXODOQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1N=C(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c5ccccc5C1=O |
SMILES | CACTVS | 3.385 | CN1N=C(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c5ccccc5C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5 |