[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H19FN2O4 MolecularWeight: 382.384963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H19FN2O4/c1-27-19-14-24(17-6-3-2-4-7-17)23-20(19)21(26)28-13-5-8-18(25)15-9-11-16(22)12-10-15/h2-4,6-7,9-12,14H,5,8,13H2,1H3