FYP

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Summary

Name:ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Formula:C15 H14 F N3 O3
Formal charge:0
Molecular weight:303.288 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
OpenEye OEToolkits2.0.6ethyl 8-fluoranyl-5-methyl-6-oxidanylidene-4~{H}-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O
InChIInChI1.03InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChIKeyInChI1.03OFBIFZUFASYYRE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23
SMILESCACTVS3.385CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F
SMILESOpenEye OEToolkits2.0.6CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F