31A

N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide

Created:2013-10-10
Last modified:  2016-02-03

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count54
Aromatic Bond Count12
2D diagram of 31A

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Chemical Component Summary

NameN-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Systematic Name (OpenEye OEToolkits)N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
FormulaC21 H25 N3 O3
Molecular Weight367.442
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2c(OC1CCNCC1)cccc2)NC(=[N@H])Cc3cccc(OC)c3
SMILESCACTVS3.385COc1cccc(CC(=N)NC(=O)c2ccccc2OC3CCNCC3)c1
SMILESOpenEye OEToolkits1.9.2COc1cccc(c1)CC(=N)NC(=O)c2ccccc2OC3CCNCC3
Canonical SMILESCACTVS3.385 COc1cccc(CC(=N)NC(=O)c2ccccc2OC3CCNCC3)c1
Canonical SMILESOpenEye OEToolkits1.9.2 [H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3
InChIInChI1.03 InChI=1S/C21H25N3O3/c1-26-17-6-4-5-15(13-17)14-20(22)24-21(25)18-7-2-3-8-19(18)27-16-9-11-23-12-10-16/h2-8,13,16,23H,9-12,14H2,1H3,(H2,22,24,25)
InChIKeyInChI1.03 WTWXRFGIIFJWMN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 117072424, 137348114