methyl 3,5-bis(pyrazol-1-ylmethyl)benzoate

Systemtic Name: methyl 3,5-bis(pyrazol-1-ylmethyl)benzoate Openeye Name: methyl 3,5-bis(pyrazol-1-ylmethyl)benzoate CAS Name: 3,5-bis(1-pyrazolylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3,5-bis(pyrazol-1-ylmethyl)benzoate Traditional Name: 3,5-bis(pyrazol-1-ylmethyl)benzoic acid methyl ester Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)CN2C=CC=N2)CN3C=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)CN2C=CC=N2)CN3C=CC=N3

InChI

InChI=1S/C16H16N4O2/c1-22-16(21)15-9-13(11-19-6-2-4-17-19)8-14(10-15)12-20-7-3-5-18-20/h2-10H,11-12H2,1H3