cyanomethyl 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: cyanomethyl 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: cyanomethyl 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid cyanomethyl ester Formula: C18H12ClN3O2 MolecularWeight: 337.75978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC#N

InChI

InChI=1S/C18H12ClN3O2/c19-14-8-6-13(7-9-14)17-16(18(23)24-11-10-20)12-22(21-17)15-4-2-1-3-5-15/h1-9,12H,11H2