Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCC1CC1)c4ccc(c3cc(c2nnc(o2)C)ccc3C)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NCC4CC4 |
SMILES | CACTVS | 3.341 | Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NCC4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C |
InChI | InChI | 1.03 | InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25) |
InChIKey | InChI | 1.03 | FOHZGCHKLPIBBX-UHFFFAOYSA-N |