[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 1-(4-fluorophenyl)-3-(m-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methylphenyl)-4-pyrazolecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(m-tolyl)pyrazole-4-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)C(C#N)C(=N)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)[C@H](C#N)C(=N)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H19FN4O3/c1-14-4-3-5-16(10-14)22-20(12-28(27-22)18-8-6-17(24)7-9-18)23(30)31-13-21(29)19(11-25)15(2)26/h3-10,12,19,26H,13H2,1-2H3/t19-/m1/s1