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CHEBI:42538 - 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE

Default Structure
ChEBI IDCHEBI:42538
ChEBI Name1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC29H23N5O
Net Charge0
Average Mass457.537
Monoisotopic Mass457.19026
SMILES[H]c1nc([H])n(C([H])([H])c2c([H])c([H])c(C#N)c([H])c2[H])c1C([H])([H])C(=O)N1C([H])([H])C(c2c([H])c([H])c([H])c3c([H])c([H])c([H])c([H])c23)=C(C#N)C([H])([H])C1([H])[H]
InChIInChI=1S/C29H23N5O/c30-15-21-8-10-22(11-9-21)18-34-20-32-17-25(34)14-29(35)33-13-12-24(16-31)28(19-33)27-7-3-5-23-4-1-2-6-26(23)27/h1-11,17,20H,12-14,18-19H2
InChIKeyKXPIURLUHSBSHE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE (CHEBI:42538) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-{[1-(4-cyanobenzyl)-1H-imidazol-5-yl]acetyl}-5-naphthalen-1-yl-1,2,3,6-tetrahydropyridine-4-carbonitrilePDBeChem
1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILEPDBeChem
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FTIPDBeChem