loading...| Preferred Name |
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
|
| Synonyms |
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
|
| Definitions |
A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_77397 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:C07572 KEGG:D07704 CAS:59729-33-8 LINCS:LSM-1585 |
|
| definition |
A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group. |
|
| formula |
C20H21FN2O |
|
| has_exact_synonym |
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:77397 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 |
|
| inchikey |
WSEQXVZVJXJVFP-UHFFFAOYSA-N |
|
| is conjugate base of | ||
| label |
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
|
| mass |
324.39190 |
|
| monoisotopicmass |
324.16379 |
|
| notation |
CHEBI:77397 |
|
| prefLabel |
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
|
| smiles |
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_38831 http://purl.obolibrary.org/obo/CHEBI_37407 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_38831 http://purl.obolibrary.org/obo/CHEBI_37407 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_77397 | OBA | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_77397 | PDRO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_77397 | BERO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_77397 | DRON | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_77397 | NIFSTD | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_77397 | OBA | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_77397 | PDRO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_77397 | BERO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_77397 | DRON | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_77397 | NIFSTD | LOOM |