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Details

Stereochemistry UNKNOWN
Molecular Formula C22H21ClN6O2
Molecular Weight 436.894
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-IMIDAZOLE-5-CARBOXALDEHYDE, 4-CHLORO-2-(1-HYDROXYBUTYL)-1-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-

SMILES

CCCC(O)C1=NC(Cl)=C(C=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4

InChI

InChIKey=KMCNHKMBFGXFMW-UHFFFAOYSA-N
InChI=1S/C22H21ClN6O2/c1-2-5-19(31)22-24-20(23)18(13-30)29(22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-25-27-28-26-21/h3-4,6-11,13,19,31H,2,5,12H2,1H3,(H,25,26,27,28)

HIDE SMILES / InChI

Molecular Formula C22H21ClN6O2
Molecular Weight 436.894
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
G2XDR3BHV9
Record Status Validated (UNII)
Record Version