V2T
4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
Created: | 2021-04-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide |
Systematic Name (OpenEye OEToolkits) | 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide |
Formula | C12 H11 N3 O2 |
Molecular Weight | 229.235 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O |
Canonical SMILES | CACTVS | 3.385 | Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccc(n1)NC(=O)c2ccc(cc2)C=O |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | UNHIRXLYGSCEKF-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155923759 |