DS9
Summary
| Name: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one |
| Formula: | C16 H15 F N4 O |
| Formal charge: | 0 |
| Formula weight: | 298.315 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | DENYZIUJOTUUNY-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CCCN1CC3=NNC(=O)c4cc(F)cc5[nH]c2c3c45 |
| SMILES | CACTVS | 3.385 | C[C]12CCCN1CC3=NNC(=O)c4cc(F)cc5[nH]c2c3c45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]12CCCN1CC3=NNC(=O)c4cc(cc5c4c3c2[nH]5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12CCCN1CC3=NNC(=O)c4cc(cc5c4c3c2[nH]5)F |
