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CHEBI:94160 - (4-tert-butylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone

ChEBI IDCHEBI:94160
ChEBI Name(4-tert-butylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone
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FormulaC27H31N5O3
Net Charge0
Average Mass473.577
Monoisotopic Mass473.24269
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1
InChIInChI=1S/C27H31N5O3/c1-27(2,3)22-8-6-21(7-9-22)26(33)31-15-13-30(14-16-31)23-10-11-25(32(34)35)24(17-23)29-19-20-5-4-12-28-18-20/h4-12,17-18,29H,13-16,19H2,1-3H3
InChIKeyYTXIGRAWLJNIIJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(4-tert-butylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone (CHEBI:94160) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-4776LINCS