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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| 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 |
|
| alternative term |
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
|
|
| charge |
0
|
|
| database_cross_reference |
CAS:59729-33-8 LINCS:LSM-1585 KEGG:C07572 KEGG:D07704
|
|
| 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
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_38831 http://purl.obolibrary.org/obo/CHEBI_37407 |
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