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MJV

Summary
Name:N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide
Synonyms:Halopemide
Formula:C21 H22 Cl F N4 O2
Formal charge:0
Formula weight:416.876 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide
OpenEye OEToolkits2.0.7~{N}-[2-[4-(5-chloranyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluoranyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c4c3NC(=O)N(C1CCN(CC1)CCNC(=O)c2ccc(cc2)F)c3ccc4Cl
InChIInChI1.03InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
InChIKeyInChI1.03NBHPRWLFLUBAIE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1)C(=O)NCCN2CCC(CC2)N3C(=O)Nc4cc(Cl)ccc34
SMILESCACTVS3.385Fc1ccc(cc1)C(=O)NCCN2CCC(CC2)N3C(=O)Nc4cc(Cl)ccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)NCCN2CCC(CC2)N3c4ccc(cc4NC3=O)Cl)F

222415

건을2024-07-10부터공개중

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