4-[[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-(5-bromo-2-pyridyl)piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(5-bromopyridin-2-yl)piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(5-bromo-2-pyridyl)piperazino]methyl]-3-nitro-benzamide Formula: C17H18BrN5O3 MolecularWeight: 420.26052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=NC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN5O3/c18-14-3-4-16(20-10-14)22-7-5-21(6-8-22)11-13-2-1-12(17(19)24)9-15(13)23(25)26/h1-4,9-10H,5-8,11H2,(H2,19,24)