[(E)-(4-cyanophenyl)methylideneamino] 1-(4-chlorophenyl)-5-propyl-pyrazole-4-carboxylate

Systemtic Name: [(E)-(4-cyanophenyl)methylideneamino] 1-(4-chlorophenyl)-5-propyl-pyrazole-4-carboxylate Openeye Name: [(E)-(4-cyanophenyl)methyleneamino] 1-(4-chlorophenyl)-5-propyl-pyrazole-4-carboxylate CAS Name: 1-(4-chlorophenyl)-5-propyl-4-pyrazolecarboxylic acid [(E)-(4-cyanophenyl)methylideneamino] ester IUPAC Name: [(E)-(4-cyanophenyl)methylideneamino] 1-(4-chlorophenyl)-5-propylpyrazole-4-carboxylate Traditional Name: 1-(4-chlorophenyl)-5-propyl-pyrazole-4-carboxylic acid [(E)-(4-cyanobenzylidene)amino] ester Formula: C21H17ClN4O2 MolecularWeight: 392.83828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)ON=CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)O/N=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17ClN4O2/c1-2-3-20-19(14-24-26(20)18-10-8-17(22)9-11-18)21(27)28-25-13-16-6-4-15(12-23)5-7-16/h4-11,13-14H,2-3H2,1H3/b25-13+