1-[3-[3-[4-(3-nitropyridin-2-yl)piperazin-1-yl]but-3-en-1-ynyl]phenyl]ethanone

Systemtic Name: 1-[3-[3-[4-(3-nitropyridin-2-yl)piperazin-1-yl]but-3-en-1-ynyl]phenyl]ethanone Openeye Name: 1-[3-[3-[4-(3-nitro-2-pyridyl)piperazin-1-yl]but-3-en-1-ynyl]phenyl]ethanone CAS Name: 1-[3-[3-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]but-3-en-1-ynyl]phenyl]ethanone IUPAC Name: 1-[3-[3-[4-(3-nitropyridin-2-yl)piperazin-1-yl]but-3-en-1-ynyl]phenyl]ethanone Traditional Name: 1-[3-[3-[4-(3-nitro-2-pyridyl)piperazino]but-3-en-1-ynyl]phenyl]ethanone Formula: C21H20N4O3 MolecularWeight: 376.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC(=C1)C#CC(=C)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=CC(=C1)C#CC(=C)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3/c1-16(8-9-18-5-3-6-19(15-18)17(2)26)23-11-13-24(14-12-23)21-20(25(27)28)7-4-10-22-21/h3-7,10,15H,1,11-14H2,2H3