NYX

2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide

Created: 2022-08-25
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count10
2D diagram of NYX

Chemical Component Summary

Name2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
Systematic Name (OpenEye OEToolkits)2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
FormulaC10 H10 Cl N3 O
Molecular Weight223.659
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385ClCC(=O)NCc1ccc2[nH]ncc2c1
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1CNC(=O)CCl)cn[nH]2
Canonical SMILESCACTVS3.385 ClCC(=O)NCc1ccc2[nH]ncc2c1
Canonical SMILESOpenEye OEToolkits3.1.0.0 c1cc2c(cc1CNC(=O)CCl)cn[nH]2
InChIInChI1.06 InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
InChIKeyInChI1.06 ISIFBXASHNTXOY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 165111572