ethyl 8-cyano-7-(4-fluorophenyl)-4-oxidanylidene-1-prop-2-ynyl-pyrrolo[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 8-cyano-7-(4-fluorophenyl)-4-oxidanylidene-1-prop-2-ynyl-pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 8-cyano-7-(4-fluorophenyl)-4-oxo-1-prop-2-ynyl-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-7-(4-fluorophenyl)-4-oxo-1-prop-2-ynyl-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-7-(4-fluorophenyl)-4-oxo-1-prop-2-ynylpyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 8-cyano-7-(4-fluorophenyl)-4-keto-1-propargyl-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C20H14FN3O3 MolecularWeight: 363.341863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=CN2C1=O)C3=CC=C(C=C3)F)C#N)CC#C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=CN2C1=O)C3=CC=C(C=C3)F)C#N)CC#C

InChI

InChI=1S/C20H14FN3O3/c1-3-9-23-11-17(20(26)27-4-2)19(25)24-12-16(15(10-22)18(23)24)13-5-7-14(21)8-6-13/h1,5-8,11-12H,4,9H2,2H3