(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2,5-diphenylpyrazole-3-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O2/c1-2-3-14-27-21(23-25-26-27)16-30-22(29)20-15-19(17-10-6-4-7-11-17)24-28(20)18-12-8-5-9-13-18/h4-13,15H,2-3,14,16H2,1H3