NYX
2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
Created: | 2022-08-25 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 26 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide |
Systematic Name (OpenEye OEToolkits) | 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide |
Formula | C10 H10 Cl N3 O |
Molecular Weight | 223.659 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | ClCC(=O)NCc1ccc2[nH]ncc2c1 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1CNC(=O)CCl)cn[nH]2 |
Canonical SMILES | CACTVS | 3.385 | ClCC(=O)NCc1ccc2[nH]ncc2c1 |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1CNC(=O)CCl)cn[nH]2 |
InChI | InChI | 1.06 | InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14) |
InChIKey | InChI | 1.06 | ISIFBXASHNTXOY-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 165111572 |