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

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-butylbenzoate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C26H23ClN2O2 MolecularWeight: 430.92602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H23ClN2O2/c1-2-3-9-19-14-16-21(17-15-19)26(30)31-25-18-23(20-10-5-4-6-11-20)28-29(25)24-13-8-7-12-22(24)27/h4-8,10-18H,2-3,9H2,1H3