1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-6-phenyl-hexane-1,6-dione

Systemtic Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-6-phenyl-hexane-1,6-dione Openeye Name: 1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-6-phenyl-hexane-1,6-dione CAS Name: 1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-6-phenylhexane-1,6-dione IUPAC Name: 1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-6-phenylhexane-1,6-dione Traditional Name: 1-[4-(6-nitro-3-pyridyl)piperazino]-6-phenyl-hexane-1,6-dione Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c26-19(17-6-2-1-3-7-17)8-4-5-9-21(27)24-14-12-23(13-15-24)18-10-11-20(22-16-18)25(28)29/h1-3,6-7,10-11,16H,4-5,8-9,12-15H2