[2-[5-cyano-6-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]carbonyl-4-fluoranyl-phenyl] 1-phenylcyclopropane-1-carboxylate

Systemtic Name: [2-[5-cyano-6-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]carbonyl-4-fluoranyl-phenyl] 1-phenylcyclopropane-1-carboxylate Openeye Name: [2-(1-benzyl-5-cyano-6-oxo-pyridine-3-carbonyl)-4-fluoro-phenyl] 1-phenylcyclopropanecarboxylate CAS Name: 1-phenyl-1-cyclopropanecarboxylic acid [2-[[5-cyano-6-oxo-1-(phenylmethyl)-3-pyridinyl]-oxomethyl]-4-fluorophenyl] ester IUPAC Name: [2-(1-benzyl-5-cyano-6-oxopyridine-3-carbonyl)-4-fluorophenyl] 1-phenylcyclopropane-1-carboxylate Traditional Name: 1-phenylcyclopropanecarboxylic acid [2-(1-benzyl-5-cyano-6-keto-nicotinoyl)-4-fluoro-phenyl] ester Formula: C30H21FN2O4 MolecularWeight: 492.497143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)F)C(=O)C4=CN(C(=O)C(=C4)C#N)CC5=CC=CC=C5

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)OC3=C(C=C(C=C3)F)C(=O)C4=CN(C(=O)C(=C4)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C30H21FN2O4/c31-24-11-12-26(37-29(36)30(13-14-30)23-9-5-2-6-10-23)25(16-24)27(34)22-15-21(17-32)28(35)33(19-22)18-20-7-3-1-4-8-20/h1-12,15-16,19H,13-14,18H2