Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)Nc1cc2c(cc1)ncc2CCNC(=O)C |
SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1 |
SMILES | CACTVS | 3.370 | COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC |
InChI | InChI | 1.03 | InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19) |
InChIKey | InChI | 1.03 | MPZVHKLZCUEJFO-UHFFFAOYSA-N |