DNZ

(2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one

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

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count2
Bond Count53
Aromatic Bond Count12
2D diagram of DNZ

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Chemical Component Summary

Name(2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
Systematic Name (OpenEye OEToolkits)(2~{R},3~{S})-3-azanyl-2-(4-chlorophenyl)-1-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-butan-1-one
FormulaC21 H23 Cl N2 O3
Molecular Weight386.872
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[CH](N)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)cc4
SMILESOpenEye OEToolkits2.0.6CC(C(c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N
Canonical SMILESCACTVS3.385 C[C@H](N)[C@H](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)cc4
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@@H]([C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3)N
InChIInChI1.03 InChI=1S/C21H23ClN2O3/c1-14(23)19(15-6-8-16(22)9-7-15)20(25)24-12-10-21(11-13-24)26-17-4-2-3-5-18(17)27-21/h2-9,14,19H,10-13,23H2,1H3/t14-,19-/m0/s1
InChIKeyInChI1.03 WRVOICVPIQQYTO-LIRRHRJNSA-N

Related Resource References

Resource NameReference
PubChem 132473035