6BL

1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one

Created: 2016-03-02
Last modified:  2016-06-29

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count25
Aromatic Bond Count11
2D diagram of 6BL

Chemical Component Summary

Name1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one
Systematic Name (OpenEye OEToolkits)1-methyl-3~{H}-isochromeno[3,4-c]pyrazol-5-one
FormulaC11 H8 N2 O2
Molecular Weight200.193
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Cc3c2c1c(cccc1)C(=O)Oc2nn3
SMILESCACTVS3.385Cc1n[nH]c2OC(=O)c3ccccc3c12
SMILESOpenEye OEToolkits2.0.4Cc1c-2c([nH]n1)OC(=O)c3c2cccc3
Canonical SMILESCACTVS3.385 Cc1n[nH]c2OC(=O)c3ccccc3c12
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1c-2c([nH]n1)OC(=O)c3c2cccc3
InChIInChI1.03 InChI=1S/C11H8N2O2/c1-6-9-7-4-2-3-5-8(7)11(14)15-10(9)13-12-6/h2-5H,1H3,(H,12,13)
InChIKeyInChI1.03 UNIATRJVNFDJDH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 337656
ChEMBL CHEMBL3936967