[2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]iminomethyl]phenyl] benzoate

Systemtic Name: [2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]iminomethyl]phenyl] benzoate Openeye Name: [2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]iminomethyl]phenyl] benzoate CAS Name: benzoic acid [2-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]iminomethyl]phenyl] ester IUPAC Name: [2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]iminomethyl]phenyl] benzoate Traditional Name: benzoic acid [2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]iminomethyl]phenyl] ester Formula: C29H20ClN3O2 MolecularWeight: 477.941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=NC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=NC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H20ClN3O2/c30-24-17-15-21(16-18-24)28-26(20-33(32-28)25-12-5-2-6-13-25)31-19-23-11-7-8-14-27(23)35-29(34)22-9-3-1-4-10-22/h1-20H