[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C20H15BrN4O3/c21-17-4-1-3-16(11-17)19-23-18(28-24-19)13-27-20(26)15-7-5-14(6-8-15)12-25-10-2-9-22-25/h1-11H,12-13H2