Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H20N4O4/c1-20(2)8-9-22-14-10-13(5-6-15(14)26-18(22)25)19-17(24)12-4-7-16(23)21(3)11-12/h4-7,10-11H,8-9H2,1-3H3,(H,19,24) |
InChIKey | InChI | 1.03 | RMQWPQCQFPMELT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCN1C(=O)Oc2ccc(NC(=O)C3=CN(C)C(=O)C=C3)cc12 |
SMILES | CACTVS | 3.385 | CN(C)CCN1C(=O)Oc2ccc(NC(=O)C3=CN(C)C(=O)C=C3)cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C |