tert-butyl 2-(2-oxidanylidene-5-pyridin-2-yl-1-pyridin-3-yl-pyridin-3-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(2-oxidanylidene-5-pyridin-2-yl-1-pyridin-3-yl-pyridin-3-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[2-oxo-5-(2-pyridyl)-1-(3-pyridyl)-3-pyridyl]pyrrole-1-carboxylate CAS Name: 2-[2-oxo-5-(2-pyridinyl)-1-(3-pyridinyl)-3-pyridinyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxo-5-pyridin-2-yl-1-pyridin-3-ylpyridin-3-yl)pyrrole-1-carboxylate Traditional Name: 2-[2-keto-5-(2-pyridyl)-1-(3-pyridyl)-3-pyridyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C24H22N4O3 MolecularWeight: 414.45648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C2=CC(=CN(C2=O)C3=CN=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C2=CC(=CN(C2=O)C3=CN=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C24H22N4O3/c1-24(2,3)31-23(30)27-13-7-10-21(27)19-14-17(20-9-4-5-12-26-20)16-28(22(19)29)18-8-6-11-25-15-18/h4-16H,1-3H3