[2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [2-azanyl-1-(4-fluorophenyl)-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [2-amino-1-(4-fluorophenyl)-2-oxo-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-amino-1-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-amino-1-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C15H16FN3O3 MolecularWeight: 305.304243

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OC(C2=CC=C(C=C2)F)C(=O)N

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OC(C2=CC=C(C=C2)F)C(=O)N

InChI

InChI=1S/C15H16FN3O3/c1-2-3-11-8-12(19-18-11)15(21)22-13(14(17)20)9-4-6-10(16)7-5-9/h4-8,13H,2-3H2,1H3,(H2,17,20)(H,18,19)