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

Systemtic Name: ethyl 5-butyl-2-ethyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-2-ethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrazole-3-carboxylic acid ethyl ester Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O2/c1-4-7-12-23-22(24(26(33)34-6-3)32(5-2)29-23)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25-27-30-31-28-25/h8-11,13-16H,4-7,12,17H2,1-3H3,(H,27,28,30,31)