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

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O3/c1-14-19(23-24(22-14)17-6-3-2-4-7-17)20(26)27-13-5-8-18(25)15-9-11-16(21)12-10-15/h2-4,6-7,9-12H,5,8,13H2,1H3