A1AST

3-(2-chlorophenyl)-N-{[(2S,7M)-7-(pyridin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}propanamide

Created:2024-05-20
Last modified:  2025-04-16

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count52
Aromatic Bond Count18
2D diagram of A1AST

Chemical Component Summary

Name3-(2-chlorophenyl)-N-{[(2S,7M)-7-(pyridin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}propanamide
Systematic Name (OpenEye OEToolkits)3-(2-chlorophenyl)-~{N}-[[(2~{S})-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
FormulaC23 H21 Cl N2 O2
Molecular Weight392.878
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccccc1CCC(=O)NCC1Cc2cccc(c2O1)c1cccnc1
SMILESCACTVS3.385Clc1ccccc1CCC(=O)NC[CH]2Cc3cccc(c4cccnc4)c3O2
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)CCC(=O)NCC2Cc3cccc(c3O2)c4cccnc4)Cl
Canonical SMILESCACTVS3.385 Clc1ccccc1CCC(=O)NC[C@@H]2Cc3cccc(c4cccnc4)c3O2
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(c(c1)CCC(=O)NC[C@@H]2Cc3cccc(c3O2)c4cccnc4)Cl
InChIInChI1.06 InChI=1S/C23H21ClN2O2/c24-21-9-2-1-5-16(21)10-11-22(27)26-15-19-13-17-6-3-8-20(23(17)28-19)18-7-4-12-25-14-18/h1-9,12,14,19H,10-11,13,15H2,(H,26,27)/t19-/m0/s1
InChIKeyInChI1.06 LZBMDZKYOXRUPA-IBGZPJMESA-N

Related Resource References

Resource NameReference
PubChem 42449931