08J

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Summary

Name:8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
Synonyms:Midazolam
Formula:C18 H13 Cl F N3
Formal charge:0
Molecular weight:325.767 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
OpenEye OEToolkits1.7.28-chloranyl-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc4ccccc4C2=NCc1cnc(n1c3c2cc(Cl)cc3)C
InChIInChI1.03InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
InChIKeyInChI1.03DDLIGBOFAVUZHB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12
SMILESCACTVS3.370Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12
SMILES_CANONICALOpenEye OEToolkits1.7.2Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl
SMILESOpenEye OEToolkits1.7.2Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl