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

Systemtic Name: methyl 1-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-5-propyl-pyrazole-3-carboxylate Openeye Name: methyl 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-5-propyl-pyrazole-3-carboxylate CAS Name: 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-5-propyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-5-propylpyrazole-3-carboxylate Traditional Name: 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-5-propyl-pyrazole-3-carboxylic acid methyl ester Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4)C(=O)OC

Isomeric SMILES

CCCC1=CC(=NN1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4)C(=O)OC

InChI

InChI=1S/C21H20N6O2/c1-3-7-15-13-19(21(28)29-2)24-27(15)16-10-11-17(14-8-5-4-6-9-14)18(12-16)20-22-25-26-23-20/h4-6,8-13H,3,7H2,1-2H3,(H,22,23,25,26)