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

Systemtic Name: heptyl 7-(2-chlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: heptyl 7-(2-chlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(2-chlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid heptyl ester IUPAC Name: heptyl 7-(2-chlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-(2-chlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid heptyl ester Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H25ClN4O2/c1-3-4-5-6-9-12-27-19(26)17-14(2)24-20-22-13-23-25(20)18(17)15-10-7-8-11-16(15)21/h7-8,10-11,13,18H,3-6,9,12H2,1-2H3,(H,22,23,24)