[2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-butylbenzoate

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-butylbenzoate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2/c1-3-4-10-21-14-16-23(17-15-21)27(30)31-26-19-25(22-11-6-5-7-12-22)28-29(26)24-13-8-9-20(2)18-24/h5-9,11-19H,3-4,10H2,1-2H3