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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > n-arylpiperazine > smoothib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > n-arylpiperazine > smoothib
organic aromatic compound > aromatic amine > n-arylpiperazine > smoothib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > n-arylpiperazine > smoothib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > n-arylpiperazine > smoothib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > smoothib
organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > smoothib
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > smoothib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > tertiary carboxamide > smoothib
organooxygen compound > carboxamide > tertiary carboxamide > smoothib
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > tertiary carboxamide > smoothib

Preferred term

smoothib  

Type

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

Broader concept

charge

  • 0

formula

  • C33H33N7O

has_role

inchi

  • InChI=1S/C33H33N7O/c1-23-6-8-24(9-7-23)22-40-33-30(21-35-40)36-32(37-33)25-10-13-27(14-11-25)38-16-18-39(19-17-38)31(41)15-12-26-20-34-29-5-3-2-4-28(26)29/h2-11,13-14,20-21,34H,12,15-19,22H2,1H3,(H,36,37)

inchikey

  • MCVSFHJAOXRNML-UHFFFAOYSA-N

mass

  • 543.675

monoisotopicmass

  • 543.27466

smiles

  • CC1=CC=C(CN2N=CC3=C2NC(=N3)C2=CC=C(C=C2)N2CCN(CC2)C(=O)CCC2=CNC3=C2C=CC=C3)C=C1

subset

  • 3_STAR

synonym EXACT

  • 3-(1H-indol-3-yl)-1-(4-{4-[1-(4-methylbenzyl)-1,6-dihydroimidazo[4,5-c]pyrazol-5-yl]phenyl}piperazin-1-yl)propan-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:228374

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