(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H17FN4O3/c1-14(25)18(11-24)20(28)13-30-22(29)19-12-27(17-5-3-2-4-6-17)26-21(19)15-7-9-16(23)10-8-15/h2-10,12,18,25H,13H2,1H3