CHEBI:121072 - (4-methylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4-methylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone
ChEBI ID CHEBI:121072
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H25N5O3
Net Charge 0
Average Mass 431.488
Monoisotopic Mass 431.19574
InChI InChI=1S/C24H25N5O3/c1-18-4-6-20(7-5-18)24(30)28-13-11-27(12-14-28)21-8-9-23(29(31)32)22(15-21)26-17-19-3-2-10-25-16-19/h2-10,15-16,26H,11-14,17H2,1H3
InChIKey JCYSKWDKOFDAPL-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4
ChEBI Ontology
Outgoing (4-methylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone (CHEBI:121072) is a piperazines (CHEBI:26144)
Manual Xref Database
LSM-32515 LINCS
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