KFU

(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

Created:2023-08-11
Last modified:  2023-11-08

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count1
Bond Count39
Aromatic Bond Count17
2D diagram of KFU

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Chemical Component Summary

Name(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Systematic Name (OpenEye OEToolkits)(3~{S})-5-chloranyl-~{N}-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide
FormulaC18 H13 Cl N2 O2
Molecular Weight324.761
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21
SMILESCACTVS3.385Clc1ccc2OC[CH](C(=O)Nc3cncc4ccccc34)c2c1
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)cncc2NC(=O)C3COc4c3cc(cc4)Cl
Canonical SMILESCACTVS3.385 Clc1ccc2OC[C@@H](C(=O)Nc3cncc4ccccc34)c2c1
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)cncc2NC(=O)[C@@H]3COc4c3cc(cc4)Cl
InChIInChI1.06 InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1
InChIKeyInChI1.06 VNWMUCGFGSYBMK-OAHLLOKOSA-N

Related Resource References

Resource NameReference
PubChem 156906799