Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H28N4O2/c1-3-18-8-10-19(11-9-18)17-29(2)25(30)15-14-24-28-27-23(31-24)13-12-20-16-26-22-7-5-4-6-21(20)22/h4-11,16,26H,3,12-15,17H2,1-2H3 |
InChIKey | InChI | 1.03 | MYWFVOHKFIFWPL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1 |
SMILES | CACTVS | 3.385 | CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4ccccc34)nn2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccc(cc1)CN(C)C(=O)CCc2nnc(o2)CCc3c[nH]c4c3cccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccc(cc1)CN(C)C(=O)CCc2nnc(o2)CCc3c[nH]c4c3cccc4 |