[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl pyrazine-2-carboxylate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl pyrazine-2-carboxylate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=NC=CN=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=NC=CN=C3)C

InChI

InChI=1S/C17H16N4O2/c1-12-9-13(2)21(20-12)15-5-3-14(4-6-15)11-23-17(22)16-10-18-7-8-19-16/h3-10H,11H2,1-2H3