[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC(C)C(=O)NC(C)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OC(C)C(=O)NC(C)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H21FN4O3/c1-13(16-9-11-17(22)12-10-16)23-20(27)15(3)29-21(28)19-14(2)24-26(25-19)18-7-5-4-6-8-18/h4-13,15H,1-3H3,(H,23,27)