D0E

3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one

Created:2017-12-13
Last modified:  2018-05-16

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count61
Aromatic Bond Count11
2D diagram of D0E

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Chemical Component Summary

Name3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one
Systematic Name (OpenEye OEToolkits)3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one
FormulaC22 H29 N3 O4
Molecular Weight399.483
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4CCOCC4)n3
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4
Canonical SMILESCACTVS3.385 COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4CCOCC4)n3
Canonical SMILESOpenEye OEToolkits2.0.6 COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4
InChIInChI1.03 InChI=1S/C22H29N3O4/c1-27-20-7-6-17(16-21(20)29-18-4-2-3-5-18)19-8-10-25(23-19)11-9-22(26)24-12-14-28-15-13-24/h6-8,10,16,18H,2-5,9,11-15H2,1H3
InChIKeyInChI1.03 LZJDBIMGCFIYOI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 118305347