FYH
3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide
Created: | 2018-08-17 |
Last modified: | 2018-09-12 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 46 |
Chiral Atom Count | 0 |
Bond Count | 48 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide |
Systematic Name (OpenEye OEToolkits) | 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide |
Formula | C19 H19 F3 N2 O3 |
Molecular Weight | 380.361 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | FC(F)(F)Oc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3 |
Canonical SMILES | CACTVS | 3.385 | FC(F)(F)Oc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3 |
InChI | InChI | 1.03 | InChI=1S/C19H19F3N2O3/c20-19(21,22)27-17-6-4-16(5-7-17)23-18(25)15-3-1-2-14(12-15)13-24-8-10-26-11-9-24/h1-7,12H,8-11,13H2,(H,23,25) |
InChIKey | InChI | 1.03 | MYWULUKAXYAFSH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4217428 |
PubChem | 134814272 |
ChEMBL | CHEMBL4217428 |