(5-bromanylpyridin-3-yl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(3-phenyl-2-quinoxalinyl)-1-piperazinyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(3-phenylquinoxalin-2-yl)piperazino]methanone Formula: C24H20BrN5O MolecularWeight: 474.3525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)C5=CC(=CN=C5)Br

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)C5=CC(=CN=C5)Br

InChI

InChI=1S/C24H20BrN5O/c25-19-14-18(15-26-16-19)24(31)30-12-10-29(11-13-30)23-22(17-6-2-1-3-7-17)27-20-8-4-5-9-21(20)28-23/h1-9,14-16H,10-13H2