methyl 2-[4-(4-bromophenyl)-6-pyridin-2-yl-pyridin-2-yl]pyridine-4-carboxylate

Systemtic Name: methyl 2-[4-(4-bromophenyl)-6-pyridin-2-yl-pyridin-2-yl]pyridine-4-carboxylate Openeye Name: methyl 2-[4-(4-bromophenyl)-6-(2-pyridyl)-2-pyridyl]pyridine-4-carboxylate CAS Name: 2-[4-(4-bromophenyl)-6-(2-pyridinyl)-2-pyridinyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromophenyl)-6-pyridin-2-ylpyridin-2-yl]pyridine-4-carboxylate Traditional Name: 2-[4-(4-bromophenyl)-6-(2-pyridyl)-2-pyridyl]isonicotinic acid methyl ester Formula: C23H16BrN3O2 MolecularWeight: 446.29604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H16BrN3O2/c1-29-23(28)16-9-11-26-20(12-16)22-14-17(15-5-7-18(24)8-6-15)13-21(27-22)19-4-2-3-10-25-19/h2-14H,1H3