95U

N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide

Created:2017-12-28
Last modified:  2019-01-02

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count16
2D diagram of 95U

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Chemical Component Summary

NameN-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
Systematic Name (OpenEye OEToolkits)~{N}-[3-(6-methyl-1~{H}-indazol-3-yl)phenyl]prop-2-enamide
FormulaC17 H15 N3 O
Molecular Weight277.321
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(\C=C)Nc3cc(c1c2c(nn1)cc(cc2)C)ccc3
SMILESCACTVS3.385Cc1ccc2c([nH]nc2c3cccc(NC(=O)C=C)c3)c1
SMILESOpenEye OEToolkits2.0.6Cc1ccc2c(c1)[nH]nc2c3cccc(c3)NC(=O)C=C
Canonical SMILESCACTVS3.385 Cc1ccc2c([nH]nc2c3cccc(NC(=O)C=C)c3)c1
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1ccc2c(c1)[nH]nc2c3cccc(c3)NC(=O)C=C
InChIInChI1.03 InChI=1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20)
InChIKeyInChI1.03 YCMAZDUWLKXRRU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 135398122