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6IZ

Summary
Name:3-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
Formula:C23 H18 F N3 O2
Formal charge:0
Formula weight:387.406 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
OpenEye OEToolkits2.0.73-[4-(1~{H}-benzimidazol-2-yl)phenyl]-~{N}-(4-fluorophenyl)oxetane-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1nc2ccccc2[NH]1
InChIInChI1.03InChI=1S/C23H18FN3O2/c24-17-9-11-18(12-10-17)25-22(28)23(13-29-14-23)16-7-5-15(6-8-16)21-26-19-3-1-2-4-20(19)27-21/h1-12H,13-14H2,(H,25,28)(H,26,27)
InChIKeyInChI1.03OLDGOAIEJVEZFL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4[nH]c5ccccc5n4)cc1
SMILESCACTVS3.385Fc1ccc(NC(=O)C2(COC2)c3ccc(cc3)c4[nH]c5ccccc5n4)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)C4(COC4)C(=O)Nc5ccc(cc5)F
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)C4(COC4)C(=O)Nc5ccc(cc5)F

225946

PDB entries from 2024-10-09

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