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

Systemtic Name: ethyl 5-butyl-2-pyridin-2-yl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-2-(2-pyridyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-2-(2-pyridinyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-2-pyridin-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-2-(2-pyridyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrazole-3-carboxylic acid ethyl ester Formula: C29H29N7O2 MolecularWeight: 507.58626

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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)C5=CC=CC=N5

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC)C5=CC=CC=N5

InChI

InChI=1S/C29H29N7O2/c1-3-5-12-25-24(27(29(37)38-4-2)36(33-25)26-13-8-9-18-30-26)19-20-14-16-21(17-15-20)22-10-6-7-11-23(22)28-31-34-35-32-28/h6-11,13-18H,3-5,12,19H2,1-2H3,(H,31,32,34,35)