ethyl 4-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H20FN5O3 MolecularWeight: 361.370803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN5O3/c1-3-26-17(25)22-10-8-21(9-11-22)16(24)15-19-12(2)23(20-15)14-6-4-13(18)5-7-14/h4-7H,3,8-11H2,1-2H3