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

Systemtic Name: methyl 5-butyl-1-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]pyrazole-3-carboxylate Openeye Name: methyl 5-butyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxylate CAS Name: 5-butyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-butyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4)C(=O)OC

Isomeric SMILES

CCCCC1=CC(=NN1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4)C(=O)OC

InChI

InChI=1S/C22H22N6O2/c1-3-4-10-16-14-20(22(29)30-2)25-28(16)17-11-12-18(15-8-6-5-7-9-15)19(13-17)21-23-26-27-24-21/h5-9,11-14H,3-4,10H2,1-2H3,(H,23,24,26,27)