Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCc3cccc(c1cc2c(nc1)ncc2)c3 |
InChI | InChI | 1.03 | InChI=1S/C16H14N2O2/c19-15(20)5-4-11-2-1-3-12(8-11)14-9-13-6-7-17-16(13)18-10-14/h1-3,6-10H,4-5H2,(H,17,18)(H,19,20) |
InChIKey | InChI | 1.03 | HMZZTTNTVUPEKW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCc1cccc(c1)c2cnc3[nH]ccc3c2 |
SMILES | CACTVS | 3.370 | OC(=O)CCc1cccc(c1)c2cnc3[nH]ccc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O |