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Concept information

Preferred term

(4-methylphenyl)-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H22N4O3

inchi

  • InChI=1S/C22H22N4O3/c1-17-4-6-18(7-5-17)22(27)25-14-12-24(13-15-25)20-9-8-19(26(28)29)16-21(20)23-10-2-3-11-23/h2-11,16H,12-15H2,1H3

inchikey

  • YOTOYGHHWCITRO-UHFFFAOYSA-N

mass

  • 390.436

monoisotopicmass

  • 390.16919

smiles

  • CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])N4C=CC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:120586

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