(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2,5-diphenylpyrazole-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H18N4O3/c1-15(24)18(13-23)21(27)14-29-22(28)20-12-19(16-8-4-2-5-9-16)25-26(20)17-10-6-3-7-11-17/h2-12,18,24H,14H2,1H3