[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O3/c1-11(2)22(12(3)4)16(23)10-25-18(24)15-9-20-21-17(15)13-5-7-14(19)8-6-13/h5-9,11-12H,10H2,1-4H3,(H,20,21)