TUT
5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Created: | 2015-05-15 |
Last modified: | 2016-03-23 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 52 |
Chiral Atom Count | 0 |
Bond Count | 54 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide |
Systematic Name (OpenEye OEToolkits) | 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide |
Formula | C21 H24 Cl N3 O3 |
Molecular Weight | 401.887 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2OC3CCNCC3)c1 |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1cccc(c1)CC(=N)NC(=O)c2cc(ccc2OC3CCNCC3)Cl |
Canonical SMILES | CACTVS | 3.385 | COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2OC3CCNCC3)c1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H24ClN3O3/c1-27-17-4-2-3-14(11-17)12-20(23)25-21(26)18-13-15(22)5-6-19(18)28-16-7-9-24-10-8-16/h2-6,11,13,16,24H,7-10,12H2,1H3,(H2,23,25,26) |
InChIKey | InChI | 1.03 | ASGVJWYYPPACHP-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 118797270, 139033549 |