CHEBI:112403 - 2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester
ChEBI ID CHEBI:112403
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H22ClN3O2
Net Charge 0
Average Mass 359.851
Monoisotopic Mass 359.14005
InChI InChI=1S/C19H22ClN3O2/c1-14(2)25-19(24)17-7-4-8-21-18(17)23-11-9-22(10-12-23)16-6-3-5-15(20)13-16/h3-8,13-14H,9-12H2,1-2H3
InChIKey AEBHMQALVKZIOJ-UHFFFAOYSA-N
SMILES CC(C)OC(=O)C1=C(N=CC=C1)N2CCN(CC2)C3=CC(=CC=C3)Cl
ChEBI Ontology
Outgoing 2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester (CHEBI:112403) is a isopropyl ester (CHEBI:35725)
2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester (CHEBI:112403) is a piperazines (CHEBI:26144)
2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester (CHEBI:112403) is a pyridines (CHEBI:26421)
Manual Xref Database
LSM-23815 LINCS
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Last Modified
09 March 2018