octyl 7-(2-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: octyl 7-(2-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: octyl 7-(2-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(2-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid octyl ester IUPAC Name: octyl 7-(2-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(2-fluorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid octyl ester Formula: C21H27FN4O2 MolecularWeight: 386.463083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CC=C3F)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CC=C3F)C

InChI

InChI=1S/C21H27FN4O2/c1-3-4-5-6-7-10-13-28-20(27)18-15(2)25-21-23-14-24-26(21)19(18)16-11-8-9-12-17(16)22/h8-9,11-12,14,19H,3-7,10,13H2,1-2H3,(H,23,24,25)