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Structure

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine,8-chloro-6-(2-chlorophenyl)-1-(4-methyl-1H-imidazol-5-yl)-

CAS
117291-09-5
Catalog Number
ACM117291095
Category
Other Products
Molecular Weight
409.2714
Molecular Formula
C20H14Cl2N6

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Specification

Synonyms
BRN 4590052, AE-641/30155039, 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(5-methyl-1H-imidazol-4-yl)-, 8-Chloro-6-(2-chlorophenyl)-1-(5-methyl-4-imidazolyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine, AC1NTPSA, MolPort-002-801-597, MCULE-4559543190, LS-156324, (1E)-8-chloro-6-(2-chlorophenyl)-1-(5-methylimidazol-4-ylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, 117291-09-5, 8-chloro-6-(2-chlorophenyl)-1-(5-methyl-1H-imidazol-4-yl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name
(1E)-8-chloro-6-(2-chlorophenyl)-1-(5-methylimidazol-4-ylidene)-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Canonical SMILES
CC1=NC=NC1=C2NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5Cl
InChI Key
LJCYNUJQHTZWBW-ZZEZOPTASA-N
Boiling Point
487.9ºC at 760mmHg
Flash Point
248.9ºC
Density
1.55g/cm³
Exact Mass
408.06600
H-Bond Acceptor
4
H-Bond Donor
1
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