(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H19FN4O3 MolecularWeight: 382.388263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=NN(C2=C1CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=NN(C2=C1CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN4O3/c1-12(23)16(10-22)18(26)11-28-20(27)19-15-4-2-3-5-17(15)25(24-19)14-8-6-13(21)7-9-14/h6-9,16,23H,2-5,11H2,1H3