Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc3ccc2C(=O)c1c(cc(cc1)NC(=O)CN(C)C)C(=O)c2c3)CN(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CN(C)C)cc3C(=O)c2c1 |
SMILES | CACTVS | 3.341 | CN(C)CC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CN(C)C)cc3C(=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c3cc(ccc3C2=O)NC(=O)CN(C)C |
InChI | InChI | 1.03 | InChI=1S/C22H24N4O4/c1-25(2)11-19(27)23-13-5-7-15-17(9-13)22(30)18-10-14(6-8-16(18)21(15)29)24-20(28)12-26(3)4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28) |
InChIKey | InChI | 1.03 | BQUQDCVNESTXAU-UHFFFAOYSA-N |