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Details

Stereochemistry RACEMIC
Molecular Formula C22H23ClN6O2
Molecular Weight 438.91
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-CHLORO-5-(HYDROXYMETHYL)-1-((4-(2-(2H-TETRAZOL-5-YL)PHENYL)PHENYL)METHYL)IMIDAZOL-2-YL)BUTAN-1-OL

SMILES

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

InChI

InChIKey=MGRMJQDIUBITKP-UHFFFAOYSA-N
InChI=1S/C22H23ClN6O2/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/h3-4,6-11,19,30-31H,2,5,12-13H2,1H3,(H,25,26,27,28)

HIDE SMILES / InChI

Molecular Formula C22H23ClN6O2
Molecular Weight 438.91
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
MJZ8FR7W5Q
Record Status Validated (UNII)
Record Version