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... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > imidazoles > 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > imidazoles > 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > imidazoles > 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > imidazoles > 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > imidazoles > 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > imidazoles > 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium

Preferred term

1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5h-imidazo[1,2-a]azepin-1-ium  

Type

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

Broader concept

charge

  • +1

formula

  • C21H21BrClN2

inchi

  • InChI=1S/C21H21BrClN2/c22-18-9-5-16(6-10-18)14-24-15-20(17-7-11-19(23)12-8-17)25-13-3-1-2-4-21(24)25/h5-12,15H,1-4,13-14H2/q+1

inchikey

  • VGTLRNPQZKPXHY-UHFFFAOYSA-N

mass

  • 416.762

monoisotopicmass

  • 415.05712

smiles

  • C1CCC2=[N+](C=C(N2CC1)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Br

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103858

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