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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H23FN4O3 MolecularWeight: 374.409323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H23FN4O3/c1-13(18(25)23-11-5-3-4-6-12-23)27-19(26)17-21-14(2)24(22-17)16-9-7-15(20)8-10-16/h7-10,13H,3-6,11-12H2,1-2H3