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 | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 25 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 1-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 |
Formula | C11 H8 N2 O2 |
Molecular Weight | 200.193 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc3c2c1c(cccc1)C(=O)Oc2nn3 |
SMILES | CACTVS | 3.385 | Cc1n[nH]c2OC(=O)c3ccccc3c12 |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
Canonical SMILES | CACTVS | 3.385 | Cc1n[nH]c2OC(=O)c3ccccc3c12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c-2c([nH]n1)OC(=O)c3c2cccc3 |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | UNIATRJVNFDJDH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 337656 |
ChEMBL | CHEMBL3936967 |