TUT

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

Created: 2015-05-15
Last modified:  2016-03-23

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Chemical Details

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

Chemical Component Summary

Name5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Systematic Name (OpenEye OEToolkits)5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
FormulaC21 H24 Cl N3 O3
Molecular Weight401.887
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2OC3CCNCC3)c1
SMILESOpenEye OEToolkits1.7.6COc1cccc(c1)CC(=N)NC(=O)c2cc(ccc2OC3CCNCC3)Cl
Canonical SMILESCACTVS3.385 COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2OC3CCNCC3)c1
Canonical SMILESOpenEye OEToolkits1.7.6 [H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl
InChIInChI1.03 InChI=1S/C21H24ClN3O3/c1-27-17-4-2-3-14(11-17)12-20(23)25-21(26)18-13-15(22)5-6-19(18)28-16-7-9-24-10-8-16/h2-6,11,13,16,24H,7-10,12H2,1H3,(H2,23,25,26)
InChIKeyInChI1.03 ASGVJWYYPPACHP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 118797270, 139033549