ethyl 1-(phenylmethyl)-5-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-5-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-propyl-pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-5-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-propylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=NN1CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C16H20N2O2/c1-3-8-15-14(16(19)20-4-2)11-17-18(15)12-13-9-6-5-7-10-13/h5-7,9-11H,3-4,8,12H2,1-2H3