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

Systemtic Name: 1-butyl-5-phenyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid Openeye Name: 1-butyl-5-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid CAS Name: 1-butyl-5-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-butyl-5-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid Traditional Name: 1-butyl-5-phenyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrazole-4-carboxylic acid Formula: C28H26N6O2 MolecularWeight: 478.54504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C28H26N6O2/c1-2-3-17-34-26(21-9-5-4-6-10-21)25(28(35)36)24(31-34)18-19-13-15-20(16-14-19)22-11-7-8-12-23(22)27-29-32-33-30-27/h4-16H,2-3,17-18H2,1H3,(H,35,36)(H,29,30,32,33)