ethyl 4-[[5-[(2-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-[(2-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-[(2-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21FN4O4 MolecularWeight: 376.382143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NNC(=C2)COC3=CC=CC=C3F

InChI

InChI=1S/C18H21FN4O4/c1-2-26-18(25)23-9-7-22(8-10-23)17(24)15-11-13(20-21-15)12-27-16-6-4-3-5-14(16)19/h3-6,11H,2,7-10,12H2,1H3,(H,20,21)