[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NCC3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C22H20FN3O3/c23-18-9-5-4-6-16(18)13-24-21(27)14-29-22(28)20-12-19(15-10-11-15)25-26(20)17-7-2-1-3-8-17/h1-9,12,15H,10-11,13-14H2,(H,24,27)