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e-3179

PropertiesImage
MNX_IDMNXM125174 Image of MNXM125174
referencechebi:230590
formulaC22H21ClN6O
global charge0
mol weight420.904
InChIKeyFQZSMTSTFMNWQF-UHFFFAOYSA-N
InChIInChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
SMILESCCCCC1=NC(Cl)=C(C=O)N1CC1=CC=C(C2=CC=CC=C2C2=NNN=N2)C=C1
MNX internals
InChI (mnx)InChI=1/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28) Image of MNXM125174
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:8][C:20]1=[N:24][C:21]([Cl:23])=[C:19]([CH:14]=[O:30])[N:29]1[CH2:13][C:15]1=[CH:10][CH:12]=[C:16]([C:17]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:18]2[C:22]2=[N:25][NH:27][N:28]=[N:26]2)[CH:11]=[CH:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:230590
chebi:230590
FQZSMTSTFMNWQF-UHFFFAOYSA-N 		e-3179
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
hmdb:HMDB0013846
FQZSMTSTFMNWQF-UHFFFAOYSA-N 		E-3179
2-Butyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-1H-imidazole-5-carboxaldehyde
2-butyl-4-chloro-1-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazole-5-carbaldehyde
2-butyl-5-chloro-3-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)imidazole-4-carbaldehyde
EXP 132
EXP-132

envipath:...8d3e65243d20
envipathM:...8d3e65243d20
FQZSMTSTFMNWQF-UHFFFAOYSA-N 		compound 0067828

hmdb:HMDB13846 		secondary/obsolete/fantasy identifier