M7N

~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Created:2019-10-04
Last modified:  2019-11-06

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count60
Aromatic Bond Count12
2D diagram of M7N

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Chemical Component Summary

Name~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide
FormulaC21 H30 N6 O
Molecular Weight382.503
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1
SMILESOpenEye OEToolkits2.0.7CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3
Canonical SMILESCACTVS3.385 CCN(CC)Cc1ccc(CNC(=O)N2CCN(CC2)c3ncccn3)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 CCN(CC)Cc1ccc(cc1)CNC(=O)N2CCN(CC2)c3ncccn3
InChIInChI1.03 InChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28)
InChIKeyInChI1.03 BZUHDDVBSAICQG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 17495098