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

Systemtic Name: ethyl 8-cyano-7-(4-fluorophenyl)-4-oxidanylidene-1-(phenylmethyl)pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 1-benzyl-8-cyano-7-(4-fluorophenyl)-4-oxo-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-7-(4-fluorophenyl)-4-oxo-1-(phenylmethyl)-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-8-cyano-7-(4-fluorophenyl)-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 1-benzyl-8-cyano-7-(4-fluorophenyl)-4-keto-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C24H18FN3O3 MolecularWeight: 415.416423

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=CN2C1=O)C3=CC=C(C=C3)F)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H18FN3O3/c1-2-31-24(30)21-14-27(13-16-6-4-3-5-7-16)22-19(12-26)20(15-28(22)23(21)29)17-8-10-18(25)11-9-17/h3-11,14-15H,2,13H2,1H3