H4T
Summary
Name: | 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone |
Formula: | C14 H15 Cl2 N O2 |
Formal charge: | 0 |
Formula weight: | 300.18 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 6-azaspiro[3.4]octan-6-yl-[2,4-bis(chloranyl)-6-oxidanyl-phenyl]methanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C14H15Cl2NO2/c15-9-6-10(16)12(11(18)7-9)13(19)17-5-4-14(8-17)2-1-3-14/h6-7,18H,1-5,8H2 |
InChIKey | InChI | 1.03 | DGXBFJCZWBOKKO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2 |
SMILES | CACTVS | 3.385 | Oc1cc(Cl)cc(Cl)c1C(=O)N2CCC3(CCC3)C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl |