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

Systemtic Name: ethyl 1-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C18H21FN4O3 MolecularWeight: 360.382743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O3/c1-3-26-18(25)13-8-10-22(11-9-13)17(24)16-20-12(2)23(21-16)15-6-4-14(19)5-7-15/h4-7,13H,3,8-11H2,1-2H3