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Chemistry, part 1

Content language

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Concept information

organofluorine compound > nnc 55-0396 (free base)
... > 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 > nnc 55-0396 (free base)
... > 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 > nnc 55-0396 (free base)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzimidazoles > nnc 55-0396 (free base)
organic heterocyclic compound > organonitrogen heterocyclic compound > benzimidazoles > nnc 55-0396 (free base)
organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzimidazoles > nnc 55-0396 (free base)
organooxygen compound > ester > carboxylic ester > cyclopropanecarboxylate ester > nnc 55-0396 (free base)
organooxygen compound > carbonyl compound > carboxylic ester > cyclopropanecarboxylate ester > nnc 55-0396 (free base)

Preferred term

nnc 55-0396 (free base)  

Type

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

Broader concept

alt_id

  • CHEBI:93374

charge

  • 0

formula

  • C30H38FN3O2

has_role

inchi

  • InChI=1S/C30H38FN3O2/c1-20(2)28-24-13-12-23(31)19-22(24)14-15-30(28,36-29(35)21-10-11-21)16-18-34(3)17-6-9-27-32-25-7-4-5-8-26(25)33-27/h4-5,7-8,12-13,19-21,28H,6,9-11,14-18H2,1-3H3,(H,32,33)/t28-,30-/m0/s1

inchikey

  • VHHVPDKNKPNKHY-JDXGNMNLSA-N

mass

  • 491.651

monoisotopicmass

  • 491.29481

smiles

  • CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC1=NC3=CC=CC=C3N1)OC(=O)C1CC1)C=C(F)C=C2

subset

  • 3_STAR

synonym EXACT

  • (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl cyclopropanecarboxylate

synonym RELATED

  • NNC 55-0396 free base
  • NNC-55-0396 free base

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:194337

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