[2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl] 3-aminocarbonyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: [2-(4-butan-2-ylphenyl)-2-oxidanylidene-ethyl] 3-aminocarbonyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: [2-oxo-2-(4-sec-butylphenyl)ethyl] 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylic acid [2-(4-butan-2-ylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylphenyl)-2-oxoethyl] 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 5-carbamoyl-1-(4-fluorophenyl)-2-pyrazoline-3-carboxylic acid [2-keto-2-(4-sec-butylphenyl)ethyl] ester Formula: C23H24FN3O4 MolecularWeight: 425.452763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3O4/c1-3-14(2)15-4-6-16(7-5-15)21(28)13-31-23(30)19-12-20(22(25)29)27(26-19)18-10-8-17(24)9-11-18/h4-11,14,20H,3,12-13H2,1-2H3,(H2,25,29)