(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-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=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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