E39

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Summary

Name:(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole
Formula:C14 H16 F N3
Formal charge:0
Molecular weight:245.295 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S})-4-fluoranyl-2-(1~{H}-imidazol-5-yl)-1-propan-2-yl-2,3-dihydroindole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H16FN3/c1-9(2)18-13-5-3-4-11(15)10(13)6-14(18)12-7-16-8-17-12/h3-5,7-9,14H,6H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeyInChI1.03BIAKLJFRJUFBQE-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.385CC(C)N1[C@@H](Cc2c(F)cccc12)c3[nH]cnc3
SMILESCACTVS3.385CC(C)N1[CH](Cc2c(F)cccc12)c3[nH]cnc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)N1c2cccc(c2C[C@H]1c3cnc[nH]3)F
SMILESOpenEye OEToolkits2.0.7CC(C)N1c2cccc(c2CC1c3cnc[nH]3)F