Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CC(c1nc(no1)Cc2ccc(cc2)F)CCCC)NO |
InChI | InChI | 1.03 | InChI=1S/C16H20FN3O3/c1-2-3-4-12(10-15(21)19-22)16-18-14(20-23-16)9-11-5-7-13(17)8-6-11/h5-8,12,22H,2-4,9-10H2,1H3,(H,19,21)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | NPHICFLHFQUZKX-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](CC(=O)NO)c1onc(Cc2ccc(F)cc2)n1 |
SMILES | CACTVS | 3.385 | CCCC[CH](CC(=O)NO)c1onc(Cc2ccc(F)cc2)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F |
SMILES | OpenEye OEToolkits | 2.0.4 | CCCCC(CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F |