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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N6O2/c1-2-3-9-21-15(18-19-20-21)12-24-16(23)13-10-17-22(11-13)14-7-5-4-6-8-14/h4-8,10-11H,2-3,9,12H2,1H3