[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-pyrazol-1-ylbenzoate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H18N4O3/c1-2-15-4-6-16(7-5-15)20-23-19(28-24-20)14-27-21(26)17-8-10-18(11-9-17)25-13-3-12-22-25/h3-13H,2,14H2,1H3