ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-(pyridin-3-ylamino)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxidanylidene-2-(pyridin-3-ylamino)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxo-2-(3-pyridylamino)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 5-[1,2-dioxo-2-(3-pyridinylamino)ethyl]-4-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-methyl-5-[2-oxo-2-(pyridin-3-ylamino)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-[2-keto-2-(3-pyridylamino)acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H18FN3O4 MolecularWeight: 395.383723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)F)C(=O)C(=O)NC3=CN=CC=C3)C

InChI

InChI=1S/C21H18FN3O4/c1-3-29-21(28)16-12(2)24-18(17(16)13-6-8-14(22)9-7-13)19(26)20(27)25-15-5-4-10-23-11-15/h4-11,24H,3H2,1-2H3,(H,25,27)