[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=NOC(=N1)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3/c1-13(2)8-16-20-17(25-21-16)12-24-18(23)15-9-19-22(11-15)10-14-6-4-3-5-7-14/h3-7,9,11,13H,8,10,12H2,1-2H3