2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)-1-(4-nitrophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propane-1,3-dione

Systemtic Name: 2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)-1-(4-nitrophenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propane-1,3-dione Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(5-bromo-2-oxo-1-pyridyl)-3-(4-nitrophenyl)propane-1,3-dione CAS Name: 2-(5-bromo-2-oxo-1-pyridinyl)-1-(4-nitrophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propane-1,3-dione IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(5-bromo-2-oxopyridin-1-yl)-3-(4-nitrophenyl)propane-1,3-dione Traditional Name: 1-(4-benzylpiperazino)-2-(5-bromo-2-keto-1-pyridyl)-3-(4-nitrophenyl)propane-1,3-dione Formula: C25H23BrN4O5 MolecularWeight: 539.37792

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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=C(C=CC4=O)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN4O5/c26-20-8-11-22(31)29(17-20)23(24(32)19-6-9-21(10-7-19)30(34)35)25(33)28-14-12-27(13-15-28)16-18-4-2-1-3-5-18/h1-11,17,23H,12-16H2