[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid [2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H22FN5O3 MolecularWeight: 435.450883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H22FN5O3/c1-4-20-19(10-25-23-26-13-27-29(20)23)22(31)32-12-21(30)18-9-14(2)28(15(18)3)11-16-5-7-17(24)8-6-16/h5-10,13H,4,11-12H2,1-3H3