[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(1,5-dimethylhexylamino)-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 [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 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-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C20H27FN4O3 MolecularWeight: 390.451783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC(C)CCCC(C)C

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC(C)CCCC(C)C

InChI

InChI=1S/C20H27FN4O3/c1-13(2)6-5-7-14(3)22-18(26)12-28-20(27)19-23-15(4)25(24-19)17-10-8-16(21)9-11-17/h8-11,13-14H,5-7,12H2,1-4H3,(H,22,26)