[2-[(1,3-diphenylpyrazol-4-yl)iminomethyl]phenyl] 4-chloranylbenzoate

Systemtic Name: [2-[(1,3-diphenylpyrazol-4-yl)iminomethyl]phenyl] 4-chloranylbenzoate Openeye Name: [2-[(1,3-diphenylpyrazol-4-yl)iminomethyl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(1,3-diphenyl-4-pyrazolyl)iminomethyl]phenyl] ester IUPAC Name: [2-[(1,3-diphenylpyrazol-4-yl)iminomethyl]phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[(1,3-diphenylpyrazol-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)C2=NN(C=C2N=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2N=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

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