(5-methyl-2-phenyl-4-propan-2-yl-pyrazol-3-yl) 4-methylbenzoate

Systemtic Name: (5-methyl-2-phenyl-4-propan-2-yl-pyrazol-3-yl) 4-methylbenzoate Openeye Name: (4-isopropyl-5-methyl-2-phenyl-pyrazol-3-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (5-methyl-2-phenyl-4-propan-2-yl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenyl-4-propan-2-ylpyrazol-3-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (4-isopropyl-5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)C(C)C

InChI

InChI=1S/C21H22N2O2/c1-14(2)19-16(4)22-23(18-8-6-5-7-9-18)20(19)25-21(24)17-12-10-15(3)11-13-17/h5-14H,1-4H3