2H7

4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide

Created:2014-01-06
Last modified:  2015-10-07

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count1
Bond Count58
Aromatic Bond Count22
2D diagram of 2H7

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Chemical Component Summary

Name4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide
Systematic Name (OpenEye OEToolkits)4-fluoranyl-N-[[1-[(2R)-1-naphthalen-2-yl-4-(oxidanylamino)-4-oxidanylidene-butan-2-yl]-1,2,3-triazol-4-yl]methyl]benzamide
FormulaC24 H22 F N5 O3
Molecular Weight447.462
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NO)CC(n1nnc(c1)CNC(=O)c2ccc(F)cc2)Cc4cc3ccccc3cc4
SMILESCACTVS3.385ONC(=O)C[CH](Cc1ccc2ccccc2c1)n3cc(CNC(=O)c4ccc(F)cc4)nn3
SMILESOpenEye OEToolkits1.7.6c1ccc2cc(ccc2c1)CC(CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F
Canonical SMILESCACTVS3.385 ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)n3cc(CNC(=O)c4ccc(F)cc4)nn3
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F
InChIInChI1.03 InChI=1S/C24H22FN5O3/c25-20-9-7-18(8-10-20)24(32)26-14-21-15-30(29-27-21)22(13-23(31)28-33)12-16-5-6-17-3-1-2-4-19(17)11-16/h1-11,15,22,33H,12-14H2,(H,26,32)(H,28,31)/t22-/m1/s1
InChIKeyInChI1.03 RASCFMYPAZDCKQ-JOCHJYFZSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4241044
PubChem 78318176
ChEMBL CHEMBL4241044