(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-phenylbutanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-phenylbutanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C22H21N3O2/c1-3-19(17-10-6-4-7-11-17)22(26)27-15-21-20(14-23)16(2)24-25(21)18-12-8-5-9-13-18/h4-13,19H,3,15H2,1-2H3