1-(4-nitrophenyl)-2-(2-oxidanylidenepyridin-1-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propane-1,3-dione

Systemtic Name: 1-(4-nitrophenyl)-2-(2-oxidanylidenepyridin-1-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propane-1,3-dione Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4-nitrophenyl)-2-(2-oxo-1-pyridyl)propane-1,3-dione CAS Name: 1-(4-nitrophenyl)-2-(2-oxo-1-pyridinyl)-3-[4-(phenylmethyl)-1-piperazinyl]propane-1,3-dione IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-nitrophenyl)-2-(2-oxopyridin-1-yl)propane-1,3-dione Traditional Name: 1-(4-benzylpiperazino)-2-(2-keto-1-pyridyl)-3-(4-nitrophenyl)propane-1,3-dione Formula: C25H24N4O5 MolecularWeight: 460.48186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=CC=CC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=CC=CC4=O

InChI

InChI=1S/C25H24N4O5/c30-22-8-4-5-13-28(22)23(24(31)20-9-11-21(12-10-20)29(33)34)25(32)27-16-14-26(15-17-27)18-19-6-2-1-3-7-19/h1-13,23H,14-18H2