[2-[1-(3-fluoranyl-4-methyl-phenyl)-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-(3-fluoranyl-4-methyl-phenyl)-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-(3-fluoro-4-methyl-phenyl)-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-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-fluoro-4-methylphenyl)-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-(3-fluoro-4-methyl-phenyl)-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)C4=CC(=C(C=C4)C)F)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN5O3/c1-5-20-18(10-25-23-26-12-27-29(20)23)22(31)32-11-21(30)17-8-14(3)28(15(17)4)16-7-6-13(2)19(24)9-16/h6-10,12H,5,11H2,1-4H3