Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)Cc5ccc(c2c1cc(cnc1nc2)c4cc3ccccc3cc4)cc5 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1ccc(cc1)c2c[nH]c3ncc(cc23)c4ccc5ccccc5c4 |
SMILES | CACTVS | 3.341 | OC(=O)Cc1ccc(cc1)c2c[nH]c3ncc(cc23)c4ccc5ccccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)c3cc4c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C25H18N2O2/c28-24(29)11-16-5-7-18(8-6-16)23-15-27-25-22(23)13-21(14-26-25)20-10-9-17-3-1-2-4-19(17)12-20/h1-10,12-15H,11H2,(H,26,27)(H,28,29) |
InChIKey | InChI | 1.03 | SWXKLXXVFMYMDP-UHFFFAOYSA-N |