V2T

4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide

Created: 2021-04-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count29
Aromatic Bond Count11
2D diagram of V2T

Chemical Component Summary

Name4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
Systematic Name (OpenEye OEToolkits)4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
FormulaC12 H11 N3 O2
Molecular Weight229.235
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
SMILESOpenEye OEToolkits2.0.7Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O
Canonical SMILESCACTVS3.385 Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
Canonical SMILESOpenEye OEToolkits2.0.7 Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O
InChIInChI1.03 InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)
InChIKeyInChI1.03 UNHIRXLYGSCEKF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155923759