DLH

2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone

Created:2018-01-24
Last modified:  2018-04-04

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count12
2D diagram of DLH

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Chemical Component Summary

Name2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone
Systematic Name (OpenEye OEToolkits)2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethanone
FormulaC19 H18 Cl N O3
Molecular Weight343.804
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Clc1ccc(CC(=O)N2CCC3(CC2)Oc4ccccc4O3)cc1
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl
Canonical SMILESCACTVS3.385 Clc1ccc(CC(=O)N2CCC3(CC2)Oc4ccccc4O3)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl
InChIInChI1.03 InChI=1S/C19H18ClNO3/c20-15-7-5-14(6-8-15)13-18(22)21-11-9-19(10-12-21)23-16-3-1-2-4-17(16)24-19/h1-8H,9-13H2
InChIKeyInChI1.03 FYEGABNDKDAYPJ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 132473038