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CHEBI:116737 - N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide

ChEBI IDCHEBI:116737
ChEBI NameN-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide
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DownloadsMolfile
FormulaC26H30ClN5O3
Net Charge0
Average Mass496.011
Monoisotopic Mass495.20372
SMILESO=C(CNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C26H30ClN5O3/c27-21-6-3-7-22(17-21)31-15-13-30(14-16-31)11-4-10-28-24(33)18-29-25(34)19-32-12-9-20-5-1-2-8-23(20)26(32)35/h1-3,5-9,12,17H,4,10-11,13-16,18-19H2,(H,28,33)(H,29,34)
InChIKeyQXNDGEQWUVIXRO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide (CHEBI:116737) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-28189LINCS