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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C18H22N6O2/c1-4-5-11-23-16(19-21-22-23)12-26-18(25)17-13(2)20-24(14(17)3)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3