(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)C)Cl

InChI

InChI=1S/C21H17ClN4O3/c1-13-19(22)14(2)26(25-13)17-10-8-16(9-11-17)21(27)28-12-18-23-24-20(29-18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3