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

Systemtic Name: [(E)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-propyl-pyrazole-4-carboxylate Openeye Name: [(E)-(4-cyanophenyl)methyleneamino] 1-phenyl-5-propyl-pyrazole-4-carboxylate CAS Name: 1-phenyl-5-propyl-4-pyrazolecarboxylic acid [(E)-(4-cyanophenyl)methylideneamino] ester IUPAC Name: [(E)-(4-cyanophenyl)methylideneamino] 1-phenyl-5-propylpyrazole-4-carboxylate Traditional Name: 1-phenyl-5-propyl-pyrazole-4-carboxylic acid [(E)-(4-cyanobenzylidene)amino] ester Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2/c1-2-6-20-19(15-23-25(20)18-7-4-3-5-8-18)21(26)27-24-14-17-11-9-16(13-22)10-12-17/h3-5,7-12,14-15H,2,6H2,1H3/b24-14+