2-[2,3-bis(chloranyl)phenyl]-5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[2,3-bis(chloranyl)phenyl]-5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid Openeye Name: 5-butyl-2-(2,3-dichlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid CAS Name: 5-butyl-2-(2,3-dichlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-2-(2,3-dichlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid Traditional Name: 5-butyl-2-(2,3-dichlorophenyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrazole-3-carboxylic acid Formula: C28H24Cl2N6O2 MolecularWeight: 547.43516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C5=C(C(=CC=C5)Cl)Cl

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C5=C(C(=CC=C5)Cl)Cl

InChI

InChI=1S/C28H24Cl2N6O2/c1-2-3-10-23-21(26(28(37)38)36(33-23)24-11-6-9-22(29)25(24)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-9,11-15H,2-3,10,16H2,1H3,(H,37,38)(H,31,32,34,35)